| CAS Number | 16122-06-8 |
| Catalog Number | AG00AVG2(AGN-PC-0O4LU3) |
| Chemical Name | 3-Benzyl-2-hydroxybenzoic acid |
| IUPAC Name | 3-benzyl-2-hydroxybenzoic acid |
| InChI | InChI=1S/C14H12O3/c15-13-11(7-4-8-12(13)14(16)17)9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H,16,17) |
| InChI Key | YUVVASYGZFERRP-UHFFFAOYSA-N |
| MDL Number | MFCD11203616 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | OC(C1=C(O)C(CC2=CC=CC=C2)=CC=C1)=O |
| Synonyms | 3-benzyl-2-hydroxybenzoic acid,
16122-06-8,
CHEMBL229469,
3-benzylsalicylic acid,
SCHEMBL112902,
3-(phenylmethyl)salicylic acid,
alpha-Phenyl-2,3-cresotic acid,
CTK8H1462,
DTXSID70552521,
YUVVASYGZFERRP-UHFFFAOYSA-N,
BDBM50219499,
MFCD11203616,
ZINC20593690,
AKOS005151819,
|
| Complexity | 258 |
| 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 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number