| CAS Number | 4386-41-8 |
| Catalog Number | AG00DOFW(AGN-PC-03MWRQ) |
| Chemical Name | 5-Benzyl-2-hydroxybenzoic acid |
| IUPAC Name | 5-benzyl-2-hydroxybenzoic acid |
| InChI | InChI=1S/C14H12O3/c15-13-7-6-11(9-12(13)14(16)17)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17) |
| InChI Key | AFIMKCDXMUVHON-UHFFFAOYSA-N |
| MDL Number | MFCD08059184 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | OC(C1=C(O)C=CC(CC2=CC=CC=C2)=C1)=O |
| Synonyms | 5-benzyl-2-hydroxybenzoic acid,
4386-41-8,
5-BENZYL-2-HYDROXY-BENZOIC ACID,
CHEMBL229467,
5-benzylsalicylic acid,
AC1Q72I4,
SCHEMBL5446640,
DTXSID40623959,
AFIMKCDXMUVHON-UHFFFAOYSA-N,
BDBM50219495,
ZINC28650416,
AKOS005217046,
MCULE-4509259058,
NE31512,
BB 0246881,
EN300-61947,
Z993967072,
|
| 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 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number