| CAS Number | 220542-03-0 |
| Catalog Number | AG00BHFH |
| Chemical Name | 4-Cyano-3-hydroxybenzoic acid |
| IUPAC Name | 4-cyano-3-hydroxybenzoic acid |
| InChI | InChI=1S/C8H5NO3/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-3,10H,(H,11,12) |
| InChI Key | PAVYLTWYIJWKFM-UHFFFAOYSA-N |
| MDL Number | MFCD16999169 |
| Molecular Formula | C8H5NO3 |
| Molecular Weight | 163.1302 |
| SMILES | C(#N)C1=C(C=C(C(=O)O)C=C1)O |
| Synonyms | 4-CYANO-3-HYDROXYBENZOIC ACID,
220542-03-0,
3-Hydroxy-4-cyanobenzoic acid,
SCHEMBL1267736,
PAVYLTWYIJWKFM-UHFFFAOYSA-N,
ZINC14443328,
AKOS027264106,
MB27102,
MCULE-6448869128,
NE40105,
Z1725930855,
4-cyano-3-hydroxy-benzoic Acid,
CID10511202,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.132g/mol |
| Monoisotopic Mass | 163.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number