AG0081MF

1130-21-8 | Ethyl 1-cyanocyclohexanecarboxylate

AG0081MF

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CAS Number	1130-21-8
Catalog Number	AG0081MF(AGN-PC-0NE63T)
Chemical Name	Ethyl 1-cyanocyclohexanecarboxylate
IUPAC Name	ethyl 1-cyanocyclohexane-1-carboxylate
InChI	InChI=1S/C10H15NO2/c1-2-13-9(12)10(8-11)6-4-3-5-7-10/h2-7H2,1H3
InChI Key	ZCBMUZAFIHZTSW-UHFFFAOYSA-N
MDL Number	MFCD19313902
Molecular Formula	C10H15NO2
Molecular Weight	181.2316
SMILES	O=C(C1(C#N)CCCCC1)OCC
Synonyms	Ethyl 1-cyanocyclohexanecarboxylate, 1130-21-8, Ethyl 1-cyanocyclohexane-1-carboxylate, 1-cyano-cyclohexanecarboxylic acid ethyl ester, Cyclohexanecarboxylic acid, 1-cyano-, ethyl ester, SCHEMBL2505, CTK0G1344, DTXSID90451229, ZCBMUZAFIHZTSW-UHFFFAOYSA-N, 4011AJ, MFCD19313902, ZINC34596732, AKOS017437624, AJ-89635, 1-Cyanocyclohexanecarboxylic acid ethyl ester, FT-0768288, Z-5690, Z848515544, C10H15NO2, CID10997650,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.11g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.235g/mol
Monoisotopic Mass	181.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number