AG003KTF

29973-91-9 | 4-Benzyloxy-3-methoxyphenylacetic acid

AG003KTF

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CAS Number	29973-91-9
Catalog Number	AG003KTF(AGN-PC-0JPG91)
Chemical Name	4-Benzyloxy-3-methoxyphenylacetic acid
IUPAC Name	2-(3-methoxy-4-phenylmethoxyphenyl)acetic acid
InChI	InChI=1S/C16H16O4/c1-19-15-9-13(10-16(17)18)7-8-14(15)20-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,17,18)
InChI Key	AYCIHUSEBJLTBF-UHFFFAOYSA-N
MDL Number	MFCD00185562
Molecular Formula	C16H16O4
Molecular Weight	272.2958
NSC Number	169521
SMILES	COc1cc(CC(=O)O)ccc1OCc2ccccc2
Synonyms	4-Benzyloxy-3-methoxyphenylacetic acid, 29973-91-9, 2-(4-(benzyloxy)-3-methoxyphenyl)acetic acid, (4-benzyloxy-3-methoxy-phenyl)-acetic acid, 2-[4-(benzyloxy)-3-methoxyphenyl]acetic acid, 2-(3-methoxy-4-phenylmethoxyphenyl)acetic acid, Benzeneacetic acid,3-methoxy-4-(phenylmethoxy)-, Benzeneacetic acid, 3-methoxy-4-(phenylmethoxy)-, NSC169521, ACMC-20amor, AC1L6SEY, Maybridge3_000484, Oprea1_036792, MLS000849836, AC1Q477S, AC1Q48D1, SCHEMBL1114985, CHEMBL1715051, CTK4G4147, DTXSID20305165, AYCIHUSEBJLTBF-UHFFFAOYSA-N, HMS1432F22, HMS2781J04, ZINC135707, CCG-52814, MFCD00185562, 3-methoxy-4-benzyloxyphenylacetic acid, AKOS002671908, MCULE-9275958533, NSC-169521, VZ28372, 4-benzyloxy-3-methoxy-phenylacetic acid, IDI1_011871, (4-benzyloxy-3-methoxyphenyl)acetic acid, 4-benzyloxy-3-methoxy phenyl acetic acid, BBV-76232242, CC-18046, SMR000455854, [4-(benzyloxy)-3-methoxyphenyl]acetic acid, DB-047677, TC-169074, FT-0638896, 2-(4-benzyloxy-3-methoxyphenyl) acetic acid, 3-Methoxy-4-(phenylmethoxy)benzeneacetic acid, 4-Benzyloxy-3-methoxyphenylacetic acid, 98%, 2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoic acid, A820131, C-17147, I04-8770, J-017714, SR-01000642023-1, BRD-K32333469-001-07-1, CID297964, B4800,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.105g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	272.3g/mol
Monoisotopic Mass	272.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
UN Code

Certificate of Analysis

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