| CAS Number | 17090-28-7 |
| Catalog Number | AG01BS0D(AGN-PC-003ZB6) |
| Chemical Name | 3-Acrylamidobenzoic Acid |
| IUPAC Name | 3-(prop-2-enoylamino)benzoic acid |
| InChI | InChI=1S/C10H9NO3/c1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-6H,1H2,(H,11,12)(H,13,14) |
| InChI Key | CQGQDOGZDYSFGS-UHFFFAOYSA-N |
| MDL Number | MFCD00586525 |
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.1834 |
| SMILES | O=C(O)C1=CC=CC(NC(C=C)=O)=C1 |
| Synonyms | 3-acrylamidobenzoic acid,
17090-28-7,
3-(prop-2-enamido)benzoic acid,
3-propenoylaminobenzoic acid,
3-(Acryloylamino)benzoic acid,
SCHEMBL1668968,
CTK0E4767,
DTXSID70569295,
CQGQDOGZDYSFGS-UHFFFAOYSA-N,
ZINC19502563,
AKOS000187007,
Benzoic acid, 3-[(1-oxo-2-propenyl)amino]-,
Z2738925390,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.186g/mol |
| Monoisotopic Mass | 191.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number