AG004K83

87687-75-0 | Benzoic acid, 3-​hydroxy-​4-​(phenylmethoxy)​-​, methyl ester

AG004K83

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CAS Number	87687-75-0
Catalog Number	AG004K83(AGN-PC-009BCD)
Chemical Name	Benzoic acid, 3-​hydroxy-​4-​(phenylmethoxy)​-​, methyl ester
IUPAC Name	methyl 3-hydroxy-4-phenylmethoxybenzoate
InChI	InChI=1S/C15H14O4/c1-18-15(17)12-7-8-14(13(16)9-12)19-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChI Key	OXEZVYTTZZQFCA-UHFFFAOYSA-N
MDL Number	MFCD16987710
Molecular Formula	C15H14O4
Molecular Weight	258.2693
SMILES	C(=O)(OC)c1cc(O)c(cc1)OCc1ccccc1
Synonyms	Methyl 4-(benzyloxy)-3-hydroxybenzoate, 87687-75-0, Methyl 4-benzyloxy-3-hydroxy-benzoate, 4-Hydroxy-3-(benzyloxy)-benzoic Acid Methyl Ester, SCHEMBL1782909, CTK2I2210, OXEZVYTTZZQFCA-UHFFFAOYSA-N, 3934AC, ANW-62709, MFCD16987710, ZINC34562845, DS-3742, methyl 3-hydroxy-4-phenylmethoxybenzoate, AJ-89350, AK101749, AX8233288, TC-151454, CS-0061824, W-4714, 3-Hydroxy-4-(benzyloxy)benzoic acid methyl ester, 4-Hydroxy-3-(phenylmethoxy)-benzoic Acid Methyl Ester, Benzoic acid, 3-hydroxy-4-(phenylmethoxy)-, methyl ester, C15H14O4, Methyl4-(benzyloxy)-3-hydroxybenzoate, CID11448276, Methyl 3-hydroxy-4-phenylmethoxy-benzoate, 1037072-57-3,

Complexity	286
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.089g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.273g/mol
Monoisotopic Mass	258.089g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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