AG001L2Z

1486-53-9 | Benzoic acid, 3-​methoxy-​4-​(phenylmethoxy)​-

AG001L2Z

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CAS Number	1486-53-9
Catalog Number	AG001L2Z(AGN-PC-0JO62Q)
Chemical Name	Benzoic acid, 3-​methoxy-​4-​(phenylmethoxy)​-
IUPAC Name	3-methoxy-4-phenylmethoxybenzoic acid
InChI	InChI=1S/C15H14O4/c1-18-14-9-12(15(16)17)7-8-13(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChI Key	JGMBQAGNZLBZCE-UHFFFAOYSA-N
MDL Number	MFCD00183281
Molecular Formula	C15H14O4
Molecular Weight	258.2693
NSC Number	16714
SMILES	O(Cc1ccccc1)c1c(OC)cc(cc1)C(=O)O
Synonyms	1486-53-9, 4-(benzyloxy)-3-methoxybenzoic acid, 4-Benzyloxy-3-methoxybenzoicacid, 4-BENZYLOXY-3-METHOXYBENZOIC ACID, 4-Benzyloxy-3-methoxy-benzoic acid, BENZOIC ACID, 3-METHOXY-4-(PHENYLMETHOXY)-, 3-methoxy-4-phenylmethoxybenzoic acid, NSC16714, O-Benzylvanillic acid, PubChem18159, 4-O-benzylvanillic acid, Enamine_004066, AC1L5EOW, AC1Q5UOP, MLS003675020, SCHEMBL242563, AC1Q477J, AC1Q482O, CHEMBL3278088, CTK4C5879, KS-00000NYB, DTXSID90280399, JGMBQAGNZLBZCE-UHFFFAOYSA-N, HMS1405I18, 3-Methoxy-4-benzyloxy-benzoic acid, 4-benzyloxy-3-methoxy benzoic acid, ALBB-012638, ZINC1747280, ANW-44981, BBL003511, MFCD00183281, NSC-16714, SBB062107, STK803217, AKOS000122914, AB04442, AC-7936, AN-8481, MCULE-5651396938, 3-methoxy-4-(phenylmethoxy)benzoic acid, 2-Methoxy-4-carboxyphenoxy-phenyl methane, AJ-31436, AK-33367, MS-11449, SMR002354324, AB0059179, Benzoic acid,3-methoxy-4-(phenylmethoxy)-, DB-063770, ST2411125, TC-133726, 4CH-015797, FT-0646919, Z4186, EN300-04048, 4-benzyloxy-3-methoxy-benzoic acid, AldrichCPR, B67212, M-9435, AR-527/41297974, J-650246, C15H14O4, AR-1F6664, CID226335, 17795-79-8,

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	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

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