AG00DHXK

52786-67-1 | 2-(2-Cyano-4-methoxyphenyl)acetic acid

AG00DHXK

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CAS Number	52786-67-1
Catalog Number	AG00DHXK(AGN-PC-0CEC6M)
Chemical Name	2-(2-Cyano-4-methoxyphenyl)acetic acid
IUPAC Name	2-(2-cyano-4-methoxyphenyl)acetic acid
InChI	InChI=1S/C10H9NO3/c1-14-9-3-2-7(5-10(12)13)8(4-9)6-11/h2-4H,5H2,1H3,(H,12,13)
InChI Key	JVYVOEJCUPVLEQ-UHFFFAOYSA-N
MDL Number	MFCD18394271
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
SMILES	O=C(O)CC1=CC=C(OC)C=C1C#N
Synonyms	2-(2-cyano-4-methoxyphenyl)acetic acid, 52786-67-1, 2-Cyano-4-methoxyphenylacetic acid, AK160943, SCHEMBL2441387, JVYVOEJCUPVLEQ-UHFFFAOYSA-N, BCP27747, MFCD18394271, ZINC98181712, AKOS024462447, DS-9810, FCH1191115, Benzeneacetic acid, 2-cyano-4-methoxy-, AJ-142819, AX8274150, CS-0042608, ST24039186, 2-(2-cyano-4-methoxyphenyl)acetic acid; 2-Cyan-4-methoxyphenylessigsaeure,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.186g/mol
Monoisotopic Mass	191.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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