| CAS Number | 773872-29-0 |
| Catalog Number | AG005BKM(AGN-PC-0WA5BE) |
| Chemical Name | 2'-(Hydroxymethyl)biphenyl-3-carboxylic acid |
| IUPAC Name | 3-[2-(hydroxymethyl)phenyl]benzoic acid |
| InChI | InChI=1S/C14H12O3/c15-9-12-4-1-2-7-13(12)10-5-3-6-11(8-10)14(16)17/h1-8,15H,9H2,(H,16,17) |
| InChI Key | LIUSEGRHRKNETK-UHFFFAOYSA-N |
| MDL Number | MFCD06203047 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | OCc1ccccc1c1cccc(c1)C(=O)O |
| Synonyms | 2'-(Hydroxymethyl)biphenyl-3-carboxylic acid,
773872-29-0,
CTK5E4372,
DTXSID70652353,
KM1852,
MFCD06203047,
ZINC22011143,
AKOS015856398,
TR-037774,
2'-Hydroxymethyl-biphenyl-3-carboxylic acid,
H57186,
2'-(Hydroxymethyl)[1,1'-biphenyl]-3-carboxylic acid,
2-(Hydroxymethyl)biphenyl-3-carboxylic acid,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.247g/mol |
| Monoisotopic Mass | 228.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number