Home Carboxes 63357-45-9
63357-45-9,MFCD19065467
Catalog No.:AA01BXT2
63357-45-9 | 2-acetamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$486.00
- +
250mg
95.0%
3 weeks  
$680.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01BXT2
Chemical Name:
2-acetamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CAS Number:
63357-45-9
Molecular Formula:
C12H15NO5
Molecular Weight:
253.2512
MDL Number:
MFCD19065467
IUPAC Name:
2-acetamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C12H15NO5/c1-7(14)13-9(12(16)17)5-8-3-4-10(15)11(6-8)18-2/h3-4,6,9,15H,5H2,1-2H3,(H,13,14)(H,16,17)
InChI Key:
UKDKTHYZLXZOSS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)CC(C(=O)O)NC(=O)C
Properties
Computed Properties
 
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
253.254g/mol
Monoisotopic Mass:
253.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Synonyms
 
N-Acetylvanilalanine 
63357-45-9 
(S)-2-Acetamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid 
2-ACETAMIDO-3-(4-HYDROXY-3-METHOXYPHENYL)PROPANOIC ACID 
N-acetyl-vanilalanine 
SCHEMBL11316963 
CHEBI:88403 
AKOS013465745 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info: