AG0004BP

10137-67-4 | Propanoic acid, 3-​cyano-​, ethyl ester

AG0004BP

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CAS Number	10137-67-4
Catalog Number	AG0004BP(AGN-PC-0JLTUW)
Chemical Name	Propanoic acid, 3-​cyano-​, ethyl ester
IUPAC Name	ethyl 3-cyanopropanoate
InChI	InChI=1S/C6H9NO2/c1-2-9-6(8)4-3-5-7/h2-4H2,1H3
InChI Key	BFSBTNGKMMFQNL-UHFFFAOYSA-N
MDL Number	MFCD01695650
Molecular Formula	C6H9NO2
Molecular Weight	127.1412
NSC Number	94973
SMILES	C(=O)(CCC#N)OCC
UNII	Q745927X6R
Synonyms	Ethyl 3-cyanopropanoate, 10137-67-4, Propanoic acid, 3-cyano-, ethyl ester, 3-Cyanopropionic acid, ethyl ester, Propionic acid, 3-cyano-, ethyl ester, UNII-Q745927X6R, ethyl 3-cyanopropionate, NSC 94973, BRN 1756022, 3-Cyanopropanoic acid ethyl ester, BFSBTNGKMMFQNL-UHFFFAOYSA-N, Q745927X6R, Ethyl 3-cyanopropanoate #, AC1L33BG, WLN: NC2VO2, SCHEMBL533711, DTXSID10143876, ALBB-016432, NSC94973, ZINC1615169, ZX-AN015124, 7342AC, MFCD01695650, NSC-94973, AKOS015959723, Propanoic acid,3-cyano-, ethyl ester, FCH1138177, MCULE-9221721525, AK544280, AS-41886, AB0081349, LS-124607, Propanoic acid, 3-cyano-, ethyl ester (9CI), W-4057, Propanoic acid, ethyl ester, Propionic acid, ethyl ester, C6H9NO2, C6-H9-N-O2, CID82393, 4-02-00-01923 (Beilstein Handbook Reference),

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.063g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	127.143g/mol
Monoisotopic Mass	127.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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