AG00CIWA

393522-78-6 | Methyl 4-[4-(hydroxymethyl)phenyl]benzoate

AG00CIWA

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CAS Number	393522-78-6
Catalog Number	AG00CIWA(AGN-PC-0NCI2W)
Chemical Name	Methyl 4-[4-(hydroxymethyl)phenyl]benzoate
IUPAC Name	methyl 4-[4-(hydroxymethyl)phenyl]benzoate
InChI	InChI=1S/C15H14O3/c1-18-15(17)14-8-6-13(7-9-14)12-4-2-11(10-16)3-5-12/h2-9,16H,10H2,1H3
InChI Key	VKZMIOMZIBDFLC-UHFFFAOYSA-N
MDL Number	MFCD06203078
Molecular Formula	C15H14O3
Molecular Weight	242.2699
SMILES	O=C(C1=CC=C(C2=CC=C(CO)C=C2)C=C1)OC
Synonyms	393522-78-6, Methyl 4'-(hydroxymethyl)-[1,1'-biphenyl]-4-carboxylate, Methyl 4-[4-(hydroxymethyl)phenyl]benzoate, METHYL 4-(4-HYDROXYMETHYLPHENYL)BENZOATE, Methyl 4'-(hydroxymethyl)[1,1'-biphenyl]-4-carboxylate, SCHEMBL5893077, CTK4I1282, DTXSID10447740, MFCD06203078, ZINC16947581, AKOS004118921, AK512024, DS-19064, BB 0223688, METHYL 4-(HYDROXYMETHYL)-[1,1-BIPHENYL]-4-CARBOXYLATE, Methyl4- benzoate, CID10900798, METHYL 4'-METHOXYBIPHENYL-4-CARBOXYLATE, 4'-Methoxybiphenyl-4-carboxylic acid methyl ester, 729-17-9,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.094g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.274g/mol
Monoisotopic Mass	242.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number