| CAS Number | 1261895-73-1 |
| Catalog Number | AG000S3W(AGN-PC-09Q002) |
| Chemical Name | 5-(4-Carboxyphenyl)-3-hydroxypyridine |
| IUPAC Name | 4-(5-hydroxypyridin-3-yl)benzoic acid |
| InChI | InChI=1S/C12H9NO3/c14-11-5-10(6-13-7-11)8-1-3-9(4-2-8)12(15)16/h1-7,14H,(H,15,16) |
| InChI Key | NRHIOPUVWLLSIS-UHFFFAOYSA-N |
| MDL Number | MFCD18312125 |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| SMILES | Oc1cncc(c1)c1ccc(cc1)C(=O)O |
| Synonyms | 4-(5-Hydroxypyridin-3-yl)benzoic acid,
1261895-73-1,
5-(4-CARBOXYPHENYL)-3-HYDROXYPYRIDINE,
ACMC-209b37,
CTK8A9668,
DTXSID40682768,
5075AA,
ANW-18641,
MFCD18312125,
ZINC65339136,
AKOS015892231,
AX8243455,
Benzoic acid, 4-(5-hydroxy-3-pyridinyl)-,
TC-107386,
B-6830,
I02-3271,
C12H9NO3,
4-(5-Hydroxypyridin-3-yl)benzoicacid,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.208g/mol |
| Monoisotopic Mass | 215.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number