4481-27-0,MFCD20645804
Catalog No.:AA00I8E4

4481-27-0 | 3-Formyl-5-methylbenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$594.00   $416.00
- +
5g
96%
in stock  
$1,758.00 $1,231.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I8E4
Chemical Name:
3-Formyl-5-methylbenzoic acid
CAS Number:
4481-27-0
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD20645804
SMILES:
O=Cc1cc(C)cc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
188  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Downstream Synthesis Route

[1]ACSMedicinalChemistryLetters,2013,vol.4,p.113-117

Literature
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Additional Info:
SDS
Tags:4481-27-0 Molecular Formula|4481-27-0 MDL|4481-27-0 SMILES|4481-27-0 3-Formyl-5-methylbenzoic acid
Catalog No.: AA00I8E4
4481-27-0,MFCD20645804
4481-27-0 | 3-Formyl-5-methylbenzoic acid
Pack Size: 1g
Purity: 96%
in stock
$594.00 $416.00
Pack Size: 5g
Purity: 96%
in stock
$1,758.00 $1,231.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I8E4
Chemical Name: 3-Formyl-5-methylbenzoic acid
CAS Number: 4481-27-0
Molecular Formula: C9H8O3
Molecular Weight: 164.1580
MDL Number: MFCD20645804
SMILES: O=Cc1cc(C)cc(c1)C(=O)O
Properties
Complexity: 188  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 2  
XLogP3: 1.3  
Downstream Synthesis Route
52107-90-1    68-12-2    4481-27-0 

[1]ACSMedicinalChemistryLetters,2013,vol.4,p.113-117

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