AG005T85

77513-40-7 | Benzoic acid, 3-hydroxy-, phenylMethyl ester

AG005T85

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CAS Number	77513-40-7
Catalog Number	AG005T85(AGN-PC-00F478)
Chemical Name	Benzoic acid, 3-hydroxy-, phenylMethyl ester
IUPAC Name	benzyl 3-hydroxybenzoate
InChI	InChI=1S/C14H12O3/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChI Key	QCLMZTCDRVMSHA-UHFFFAOYSA-N
MDL Number	MFCD11225903
Molecular Formula	C14H12O3
Molecular Weight	228.2433
SMILES	O=C(OCC1=CC=CC=C1)C2=CC=CC(O)=C2
Synonyms	Benzyl 3-hydroxybenzoate, 77513-40-7, 3-hydroxybenzoic acid benzyl ester, Benzoic acid, 3-hydroxy-, phenylmethyl ester, 3-Benzyloxycarbonyl-phenol, Oprea1_477572, SCHEMBL56565, phenylmethyl 3-hydroxybenzoate, CHEMBL443671, CTK2G6309, DTXSID20471379, QCLMZTCDRVMSHA-UHFFFAOYSA-N, 3-hydroxy-benzoic acid benzyl ester, ZINC35585911, AKOS022326394, MCULE-2449589163, DA-03424, SY129449, FT-0762543, ST51045760, MFCD11225903 (95%), A1-05355, 4-chloro-2-cyanobenzoic acid, CID11736317,

Complexity	246
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	1
Isotope Atom Count	0
Molecular Weight	228.247g/mol
Monoisotopic Mass	228.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319
Precuationary statements	P305+P351+P338
Siginal words

Certificate of Analysis

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