AG001Q2D

15823-04-8 | Benzenepropanoic acid, 4-methoxy-, methyl ester

AG001Q2D

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CAS Number	15823-04-8
Catalog Number	AG001Q2D(AGN-PC-009YRT)
Chemical Name	Benzenepropanoic acid, 4-methoxy-, methyl ester
IUPAC Name	methyl 3-(4-methoxyphenyl)propanoate
InChI	InChI=1S/C11H14O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-4,6-7H,5,8H2,1-2H3
InChI Key	AKQLYAFBUYHFCK-UHFFFAOYSA-N
MDL Number	MFCD01923356
Molecular Formula	C11H14O3
Molecular Weight	194.2271
NSC Number	174074
SMILES	COC(=O)CCC1=CC=C(OC)C=C1
Synonyms	Methyl 3-(4-methoxyphenyl)propanoate, 15823-04-8, Methyl 3-(4-methoxyphenyl)propionate, Methyl 4-methoxyphenylpropionate, Benzenepropanoic acid, 4-methoxy-, methyl ester, Hydrocinnamic acid, p-methoxy-, methyl ester, Benzenepropanoic acid,4-methoxy-, methyl ester, AKQLYAFBUYHFCK-UHFFFAOYSA-N, Methyl 3-(p-methoxyphenyl)-propionate, NSC174074, AC1L6VDN, ACMC-1C8QD, Methyl p-methoxyhydrocinnamate, SCHEMBL1445627, CHEMBL2252077, CTK4C9626, DTXSID60306095, ZINC1702387, ANW-66285, GEO-01869, methyl 3-(p-methoxyphenyl)propionate, MFCD01923356, STK424581, AKOS003271657, MCULE-9334337987, Methyl 3-(4-methoxyphenyl)-propionate, NSC-174074, VZ34930, 4-Methoxyhydrocinnamic acid methyl ester, 4CN-1432, AJ-30528, AS-12444, CJ-28762, DB-064208, TC-155030, FT-0747644, Methyl 3-(4-methoxyphenyl)propionate, 97%, ST24031004, ST50928031, 3-(4-methoxyphenyl)propionic acid methyl ester, K-4966, I01-7811, J-009483, Propanoic acid, 3-(4-methoxyphenyl), methyl ester, Hydrocinnamic acid, methyl ester, Benzenepropanoic acid, methyl ester, C11H14O3, CID300018,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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