AG003BA0

10538-49-5 | 3-(2,5-DIMETHOXYPHENYL)PROPIONIC ACID

AG003BA0

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CAS Number	10538-49-5
Catalog Number	AG003BA0(AGN-PC-0JL74Q)
Chemical Name	3-(2,5-DIMETHOXYPHENYL)PROPIONIC ACID
IUPAC Name	3-(2,5-dimethoxyphenyl)propanoic acid
InChI	InChI=1S/C11H14O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChI Key	JENQUCZZZGYHRW-UHFFFAOYSA-N
MDL Number	MFCD00060325
Molecular Formula	C11H14O4
Molecular Weight	210.2265
SMILES	O=C(O)CCc1cc(OC)ccc1(OC)
Synonyms	10538-49-5, 3-(2,5-Dimethoxyphenyl)propanoic acid, 3-(2,5-Dimethoxyphenyl)propionic acid, Benzenepropanoic acid, 2,5-dimethoxy-, 2,5-Dimethoxyhydrocinnamic acid, 2,5-Dimethoxybenzenepropanoic acid, JENQUCZZZGYHRW-UHFFFAOYSA-N, Benzenepropanoic acid,2,5-dimethoxy-, MFCD00060325, C25H40O5, AC1Q4DJI, AC1Q4DJJ, Maybridge1_000808, ACMC-1BO6N, AC1Q48DO, Oprea1_803641, KSC503Q0F, SCHEMBL491188, DTXSID3065114, CTK4A3802, HMS543M16, ZINC94295, AC1L2560, KS-00000YS6, 2,5-Dimethoxy-benzenepropanoic acid, 1236AA, 1237AA, SBB044901, STK950818, 3-(2,5-dimethoxyphenyl)propanoicacid, AKOS000206922, CCG-104079, MCULE-2219928795, 3-(2,5-dimethoxyphenyl) propionic acid, 3-(2,5-dimethoxy-phenyl)-propionic acid, AJ-10946, 3-(2,5-Dimethoxyphenyl)propanoic acid #, DB-021577, TC-066425, EU-0035024, FT-0636732, ST24032554, ST45025050, 3-(2,5-Dimethoxyphenyl)propionic acid, 97%, EN300-28908, C-5504, A801224, SR-01000401796, I14-5182, J-001410, SR-01000401796-1, F2137-0006, Z425387614, C11H14O4, CID66343, ACN-031355, C11-H14-O4, Methyl-7-keto-3a,12a-dihydroxy-5b-cholanoate, 10538-65-5,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.089g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.229g/mol
Monoisotopic Mass	210.089g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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