| CAS Number | 159506-17-9 |
| Catalog Number | AG001R4A(AGN-PC-0393PK) |
| Chemical Name | 3-(Benzyloxy)-5-hydroxybenzoic acid |
| IUPAC Name | 3-hydroxy-5-phenylmethoxybenzoic acid |
| InChI | InChI=1S/C14H12O4/c15-12-6-11(14(16)17)7-13(8-12)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17) |
| InChI Key | GMNCZGJHAYMSSS-UHFFFAOYSA-N |
| MDL Number | MFCD23110929 |
| Molecular Formula | C14H12O4 |
| Molecular Weight | 244.2427 |
| SMILES | C1(C=C(O)C=C(OCC2C=CC=CC=2)C=1)C(O)=O |
| Synonyms | 3-(Benzyloxy)-5-hydroxybenzoic acid,
159506-17-9,
Benzoic acid, 3-hydroxy-5-(phenylmethoxy)-,
SCHEMBL2570286,
CTK0B0147,
DTXSID60611631,
3-hydroxy-5-benzyloxybenzoic acid,
GMNCZGJHAYMSSS-UHFFFAOYSA-N,
3-Benzyloxy-5-hydroxybenzoic acid,
ZINC95933526,
FCH2896068,
AJ-138057,
AX8282652,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.246g/mol |
| Monoisotopic Mass | 244.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number