AG00I8AD

43050-39-1 | 1-(3-Methoxyphenyl)cyclopentane-1-carboxylic acid

AG00I8AD

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CAS Number	43050-39-1
Catalog Number	AG00I8AD(AGN-PC-03SQSA)
Chemical Name	1-(3-Methoxyphenyl)cyclopentane-1-carboxylic acid
IUPAC Name	1-(3-methoxyphenyl)cyclopentane-1-carboxylic acid
InChI	InChI=1S/C13H16O3/c1-16-11-6-4-5-10(9-11)13(12(14)15)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3,(H,14,15)
InChI Key	BDUMKMDZDPHFJH-UHFFFAOYSA-N
MDL Number	MFCD11037111
Molecular Formula	C13H16O3
Molecular Weight	220.2643
SMILES	COC1=CC=CC(=C1)C2(CCCC2)C(=O)O
Synonyms	1-(3-methoxyphenyl)cyclopentanecarboxylic acid, 43050-39-1, 1-(3-methoxyphenyl)cyclopentane-1-carboxylic acid, AC1Q47SQ, SCHEMBL7467608, MFCD11037111, ZINC33487196, AKOS008146587, DS-9380, MCULE-1706073241, NE18317, AJ-86142, AK158620, DA-05898, SY190223, FT-0737415, EN300-72889, MFCD11037111 (95%), Z1259273276,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.11g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.268g/mol
Monoisotopic Mass	220.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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