| CAS Number | 103041-09-4 |
| Catalog Number | AG019JJV(AGN-PC-0K6JFP) |
| Chemical Name | 2-[(3-Nitrophenyl)formamido]propanoic acid |
| IUPAC Name | 2-[(3-nitrobenzoyl)amino]propanoic acid |
| InChI | InChI=1S/C10H10N2O5/c1-6(10(14)15)11-9(13)7-3-2-4-8(5-7)12(16)17/h2-6H,1H3,(H,11,13)(H,14,15) |
| InChI Key | CDBXKLYOJGRINM-UHFFFAOYSA-N |
| MDL Number | MFCD03470520 |
| Molecular Formula | C10H10N2O5 |
| Molecular Weight | 238.1968 |
| SMILES | CC(C(O)=O)NC(C1=CC([N+]([O-])=O)=CC=C1)=O |
| Synonyms | 2-[(3-nitrophenyl)formamido]propanoic acid,
103041-09-4,
(2S)-2-[(3-nitrobenzoyl)amino]propanoic acid,
L-Alanine, N-(3-nitrobenzoyl)-,
ACMC-20eovi,
AC1MOZYX,
2-[(3-nitrobenzoyl)amino]propanoic Acid,
AC1Q2BHE,
Oprea1_862806,
SCHEMBL2251023,
CTK8H0645,
AKOS008967722,
MCULE-5035608682,
NE25199,
EN300-09636,
Z57173797,
CID3427405,
117958-15-3,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.199g/mol |
| Monoisotopic Mass | 238.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number