616-75-1,MFCD00004261
Catalog No.:AA003GIF

616-75-1 | Benzylmalonic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$24.00   $17.00
- +
5g
98%
in stock  
$64.00   $45.00
- +
25g
98%
in stock  
$215.00   $150.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003GIF
Chemical Name:
Benzylmalonic acid
CAS Number:
616-75-1
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00004261
SMILES:
OC(=O)C(C(=O)O)Cc1ccccc1
NSC Number:
8068
Properties
Properties
 
BP:
378.4 °C at 760 mmHg  
Form:
Solid  
MP:
118-122 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
204  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Literature

Title: Molecularly imprinted polymers: present and future prospective.

Journal: International journal of molecular sciences 20110101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Impact of the carbon chain length of novel palladium(II) complexes on interaction with DNA and cytotoxic activity.

Journal: Inorganic chemistry 20100405

Title: Synthesis, characterization and cytotoxicity of diam(m)-ineplatinum(II) complexes containing beta-phenylisosuccinate ligand.

Journal: Archiv der Pharmazie 20071101

Title: Passivation of the calcite surface with phenylmalonate and benzylmalonate ions.

Journal: Journal of colloid and interface science 20050601

Title: Novel coumarin derivatives of heterocyclic compounds as lipid-lowering agents.

Journal: Bioorganic & medicinal chemistry letters 20030804

Title: Intramolecular 'Aryl-metal chelate ring' pi,pi-interactions as structural evidence for metalloaromaticity in (aromatic alpha,alpha'-diimine)-copper(II) chelates: molecular and crystal structure of aqua(1,10-phenanthroline)(2-benzylmalonato)copper(II) three-hydrate.

Journal: Inorganic chemistry 20021230

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:616-75-1 Molecular Formula|616-75-1 MDL|616-75-1 SMILES|616-75-1 Benzylmalonic acid
Catalog No.: AA003GIF
616-75-1,MFCD00004261
616-75-1 | Benzylmalonic acid
Pack Size: 1g
Purity: 98%
in stock
$24.00 $17.00
Pack Size: 5g
Purity: 98%
in stock
$64.00 $45.00
Pack Size: 25g
Purity: 98%
in stock
$215.00 $150.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003GIF
Chemical Name: Benzylmalonic acid
CAS Number: 616-75-1
Molecular Formula: C10H10O4
Molecular Weight: 194.1840
MDL Number: MFCD00004261
SMILES: OC(=O)C(C(=O)O)Cc1ccccc1
NSC Number: 8068
Properties
BP: 378.4 °C at 760 mmHg  
Form: Solid  
MP: 118-122 °C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 204  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
Literature fold

Title: Molecularly imprinted polymers: present and future prospective.

Journal: International journal of molecular sciences20110101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Impact of the carbon chain length of novel palladium(II) complexes on interaction with DNA and cytotoxic activity.

Journal: Inorganic chemistry20100405

Title: Synthesis, characterization and cytotoxicity of diam(m)-ineplatinum(II) complexes containing beta-phenylisosuccinate ligand.

Journal: Archiv der Pharmazie20071101

Title: Passivation of the calcite surface with phenylmalonate and benzylmalonate ions.

Journal: Journal of colloid and interface science20050601

Title: Novel coumarin derivatives of heterocyclic compounds as lipid-lowering agents.

Journal: Bioorganic & medicinal chemistry letters20030804

Title: Intramolecular 'Aryl-metal chelate ring' pi,pi-interactions as structural evidence for metalloaromaticity in (aromatic alpha,alpha'-diimine)-copper(II) chelates: molecular and crystal structure of aqua(1,10-phenanthroline)(2-benzylmalonato)copper(II) three-hydrate.

Journal: Inorganic chemistry20021230

Building Blocks More >
583-68-6
583-68-6
2-Bromo-4-methylaniline
AA003GLS | MFCD00007635
92022-50-9
92022-50-9
2-Bromobenzyl phenyl sulfone
AA003GOW | MFCD06797069
14237-71-9
14237-71-9
2-Chloro-4,6-dimethylnicotinonitrile
AA003GSJ | MFCD00051676
88487-25-6
88487-25-6
2-Chloro-5-fluorobenzamide
AA003GVU | MFCD01631465
55204-93-8
55204-93-8
2-Chlorobenzyl isocyanate
AA003GZ4 | MFCD00673061
5284-29-7
5284-29-7
2-Dodecylphenol
AA003H2X | MFCD00020106
394-42-3
394-42-3
2-Fluoro-4-methoxybenzoic acid
AA003H6O | MFCD00509373
700-82-3
700-82-3
3,4,5,6,7,8-Hexahydro-2H-chromen-2-one
AA003HA2 | MFCD18450739
5398-69-6
5398-69-6
2-Iodo-3-nitrobenzoic acid
AA003HDQ | MFCD00277941
2553-04-0
2553-04-0
2-Methoxybenzophenone
AA003HH2 | MFCD00017163
Submit
© 2017 AA BLOCKS, INC. All rights reserved.