AG0082TH

109089-77-2 | 3-(2-Methoxy-5-methylphenyl)-3-phenylpropionic Acid

AG0082TH

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CAS Number	109089-77-2
Catalog Number	AG0082TH(AGN-PC-0KUWZN)
Chemical Name	3-(2-Methoxy-5-methylphenyl)-3-phenylpropionic Acid
IUPAC Name	3-(2-methoxy-5-methylphenyl)-3-phenylpropanoic acid
InChI	InChI=1S/C17H18O3/c1-12-8-9-16(20-2)15(10-12)14(11-17(18)19)13-6-4-3-5-7-13/h3-10,14H,11H2,1-2H3,(H,18,19)
InChI Key	KSLPLDLDQANKOD-UHFFFAOYSA-N
MDL Number	MFCD01098026
Molecular Formula	C17H18O3
Molecular Weight	270.3230
SMILES	COc1ccc(C)cc1C(CC(=O)O)c2ccccc2
Synonyms	3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid, 109089-77-2, 3-(2-methoxy-5-methylphenyl)-3-phenylpropionic acid, 3-(2-METHOXY-5-METHYL-PHENYL)-3-PHENYL-PROPIONIC ACID, 3-(2-METHOXY-5-METHYLPHENYL)-3-PHENYL PROPIONIC ACID, 3-(2-Methoxy-5-methylphenyl)-3-phenyl propanoic acid, nyl-propionic acid, KSLPLDLDQANKOD-UHFFFAOYSA-N, 3-(2-Methoxy-5-methyl-phenyl)-3-phe, PubChem15038, AC1MRHL6, SCHEMBL617039, 3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoicacid, Jsp000743, 3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propanoic Acid, CTK4A6326, DTXSID40392759, ACT04366, BCP11949, KS-000015ZD, ANW-56521, CM-747, MFCD01098026, AKOS015899915, AC-3467, MCULE-9219196684, VZ25939, AK-32825, AN-12923, AS-35369, CC-12293, AB0004684, AX8008876, DB-040857, FT-0642670, M2367, ST24041403, ST50979587, 2-Methoxy-5-methyl-|A-phenyl-hydrocinnamic Acid, 089M772, C-17004, 3-(2-Methoxy-5-methylphenyl)-3-phenylpropionicAcid, I14-11739, Not Available, CID3468322, A2146, 3-(2-Methoxy-5-methylphenyl)-3-phenyl-propanoic Acid, 2,3-Methoxy-5-methylphenyl-3-phenylpropanoic acid,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.126g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	270.328g/mol
Monoisotopic Mass	270.126g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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