AG00CLLU

362052-00-4 | 2-(4-Cyanophenyl)propanoic acid

AG00CLLU

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CAS Number	362052-00-4
Catalog Number	AG00CLLU(AGN-PC-0WANBW)
Chemical Name	2-(4-Cyanophenyl)propanoic acid
IUPAC Name	2-(4-cyanophenyl)propanoic acid
InChI	InChI=1S/C10H9NO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H,12,13)
InChI Key	YSVNGBYVEJEXGO-UHFFFAOYSA-N
MDL Number	MFCD20547529
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	CC(C1=CC=C(C#N)C=C1)C(O)=O
Synonyms	2-(4-cyanophenyl)propanoic acid, 362052-00-4, 2-(4-Cyano-phenyl)-propionic acid, 4-cyanophenylpropionic acid, p-cyano-phenylpropionic acid, 4-cyano-phenylpropionic acid, SCHEMBL2575820, YSVNGBYVEJEXGO-UHFFFAOYSA-N, KS-00000S6G, MFCD20547529, AKOS022188726, DS-9090, AK148922, ST2403947, 4CH-018823, J3.530.825C,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P311
UN Code	UN 2811

Certificate of Analysis

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