AG003CU8

937601-79-1 | 1-(2-CYANOPHENYL)-4-PIPERIDINECARBOXYLIC ACID

AG003CU8

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CAS Number	937601-79-1
Catalog Number	AG003CU8(AGN-PC-01XG3L)
Chemical Name	1-(2-CYANOPHENYL)-4-PIPERIDINECARBOXYLIC ACID
IUPAC Name	1-(2-cyanophenyl)piperidine-4-carboxylic acid
InChI	InChI=1S/C13H14N2O2/c14-9-11-3-1-2-4-12(11)15-7-5-10(6-8-15)13(16)17/h1-4,10H,5-8H2,(H,16,17)
InChI Key	UPPMSPCFXVKLNW-UHFFFAOYSA-N
MDL Number	MFCD08689748
Molecular Formula	C13H14N2O2
Molecular Weight	230.2625
SMILES	OC(=O)C1CCN(CC1)C1=C(C=CC=C1)C#N
Synonyms	1-(2-Cyanophenyl)piperidine-4-carboxylic acid, 937601-79-1, 1-(2-cyanophenyl)-4-piperidinecarboxylic acid, J-503002, SCHEMBL2558711, CTK7C8744, KS-00000AEU, cyanophenylpiperidinecarboxylicacid, DTXSID40594771, ZINC8729996, ZX-AT017595, ANW-54947, KM3224, MFCD08689748, OR7898, SBB097611, AKOS000261523, GA-0722, MB06471, MCULE-4496406397, RP13246, RTR-048391, TRA0060845, 2-(4-Carboxypiperidin-1-yl)benzonitrile, AJ-58972, SY004374, AX8173639, BC4164400, DB-017110, TR-048391, FT-0742347, V9315, 1-(2-Cyanophenyl)piperidine-4-carboxylicAcid, MFCD08689748 (97+%), C13H14N2O2,

Complexity	326
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.106g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.267g/mol
Monoisotopic Mass	230.106g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	64.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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