| CAS Number | 91192-27-7 |
| Catalog Number | AG019Z1Z(AGN-PC-0N9II6) |
| Chemical Name | 2-[(3-Cyanophenyl)amino]acetic Acid |
| IUPAC Name | 2-(3-cyanoanilino)acetic acid |
| InChI | InChI=1S/C9H8N2O2/c10-5-7-2-1-3-8(4-7)11-6-9(12)13/h1-4,11H,6H2,(H,12,13) |
| InChI Key | ZXEFJAWHZVPDKS-UHFFFAOYSA-N |
| MDL Number | MFCD11186189 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | O=C(O)CNC1=CC=CC(C#N)=C1 |
| Synonyms | 2-[(3-cyanophenyl)amino]acetic Acid,
91192-27-7,
2-((3-cyanophenyl)amino)acetic acid,
2-(3-cyanophenylamino)acetic acid,
n-(3-cyanophenyl)glycine,
Glycine, N-(3-cyanophenyl)-,
SCHEMBL3836565,
CTK3I1238,
DTXSID80443956,
ZINC57332700,
AKOS009235004,
MCULE-9888498497,
NE46267,
Z1443588532,
CID10725942,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number