AG003I27

1857-56-3 | 3-(3-Chloro-4-methoxyphenyl)propanoic acid

AG003I27

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CAS Number	1857-56-3
Catalog Number	AG003I27(AGN-PC-0NCAVW)
Chemical Name	3-(3-Chloro-4-methoxyphenyl)propanoic acid
IUPAC Name	3-(3-chloro-4-methoxyphenyl)propanoic acid
InChI	InChI=1S/C10H11ClO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChI Key	MAYOFTZUJPQKET-UHFFFAOYSA-N
MDL Number	MFCD05865217
Molecular Formula	C10H11ClO3
Molecular Weight	214.6455
SMILES	O=C(O)CCC1=CC=C(OC)C(Cl)=C1
Synonyms	1857-56-3, 3-(3-chloro-4-methoxyphenyl)propanoic acid, 3-(3-Chloro-4-methoxyphenyl)propionic acid, Benzenepropanoic acid, 3-chloro-4-methoxy-, ACMC-20anl3, AC1Q45ER, SCHEMBL1207379, CTK4D9066, DTXSID10447265, MAYOFTZUJPQKET-UHFFFAOYSA-N, ZINC2563938, MFCD05865217, SBB067803, AKOS000345233, MCULE-5350814939, NE50863, 3-chloro-4-methoxyBenzenepropanoic acid, 3-(3-Chloro-4-methoxyphenyl)propionic a, AJ-40980, AK130349, SC-94955, Benzenepropanoic acid,3-chloro-4-methoxy-, DB-065542, TC-066428, FT-0653484, EN300-27148, 3-(3'-Chloro-4'-methoxyphenyl)propionic acid, 3-(3-Chloro-4-methoxy-phenyl)-propionic acid, 3-(3-chloranyl-4-methoxy-phenyl)propanoic acid, 3-(3-Chloro-4-methoxyphenyl)propionic acid, 97%, A812978, I14-5181, J-011910, ACN-031413, CID10889272, 3-(3-chloro-4-methoxy-phenyl)propanoic Acid, 3-(3-Chloro-4-methoxy-phenyl)-propionic acid - 1G 1g,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.645g/mol
Monoisotopic Mass	214.04g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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