AG007JQN

27916-43-4 | 3-(2-Cyanophenyl)propanoic acid

AG007JQN

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CAS Number	27916-43-4
Catalog Number	AG007JQN(AGN-PC-0R3LH4)
Chemical Name	3-(2-Cyanophenyl)propanoic acid
IUPAC Name	3-(2-cyanophenyl)propanoic acid
InChI	InChI=1S/C10H9NO2/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-4H,5-6H2,(H,12,13)
InChI Key	ZVPSKABEFALNET-UHFFFAOYSA-N
MDL Number	MFCD00464857
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	O=C(O)CCC1=CC=CC=C1C#N
Synonyms	3-(2-CYANOPHENYL)PROPANOIC ACID, 27916-43-4, SCHEMBL447652, Benzenepropanoic acid,2-cyano-, 3-(o-cyanophenyl)propionic acid, Benzenepropanoic acid, 2-cyano-, CTK4G0425, 3-(2-Cyanophenyl)propionic acid, DTXSID80496361, ZVPSKABEFALNET-UHFFFAOYSA-N, ANW-61357, MFCD00464857, SBB084009, ZINC12859740, AKOS001434380, MCULE-9936278616, AJ-63060, AK-45829, DB-067847, TC-066459, FT-0084147, FT-0660175, W5090, J3.663.590H, S-1066, Z271138028, 3- propanoicacid, C10H9NO2, ACN-042140, (E)-3-(2-CYANOPHENYL)ACRYLIC ACID,

Complexity	228
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	3
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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

Lot Number