AG00AC6P

1619-58-5 | Ethyl 2-cyanobutanoate

AG00AC6P

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CAS Number	1619-58-5
Catalog Number	AG00AC6P(AGN-PC-05RCXR)
Chemical Name	Ethyl 2-cyanobutanoate
IUPAC Name	ethyl 2-cyanobutanoate
InChI	InChI=1S/C7H11NO2/c1-3-6(5-8)7(9)10-4-2/h6H,3-4H2,1-2H3
InChI Key	FCISHUHNFYJJDU-UHFFFAOYSA-N
MDL Number	MFCD02258598
Molecular Formula	C7H11NO2
Molecular Weight	141.1677
NSC Number	1101
SMILES	CCC(C#N)C(OCC)=O
Synonyms	ethyl 2-cyanobutanoate, 1619-58-5, ethyl2-cyanobutanoate, ethyl 2-cyanobutyrate, 2-Cyanobutyric acid ethyl ester, MFCD02258598, Butanoic acid, 2-cyano-, ethyl ester, NSC1101, AC1Q4QKH, KSC531A2R, SCHEMBL10920266, 2-cyanoButanoic acid ethyl ester, CTK4D1028, KS-00000BER, 2-cyano-butyric acid ethyl ester, DTXSID80277197, FCISHUHNFYJJDU-UHFFFAOYSA-N, AC1L5749, NSC-1101, 8192AA, Butanoic acid,2-cyano-, ethyl ester, AKOS011113241, CS-W022659, MCULE-7058674659, NE23562, 2-CYANOBUTYRIC ACID, ETHYL ESTER, AK113484, BC683114, SC-88384, SY005851, DB-064426, TC-289614, 4CH-007273, FT-0713448, ST24030509, EN300-58905, MFCD02258598 (97+%), I14-17559, Z1262237467, C7H11NO2, AR-1J0581, CID219611, R2103, 198904-17-5,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	141.17g/mol
Monoisotopic Mass	141.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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