AG003JUQ

33279-01-5 | 3-Oxopentanenitrile

AG003JUQ

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CAS Number	33279-01-5
Catalog Number	AG003JUQ(AGN-PC-0MVP3N)
Chemical Name	3-Oxopentanenitrile
IUPAC Name	3-oxopentanenitrile
InChI	InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h2-3H2,1H3
InChI Key	KOYWUYIBEXFRFH-UHFFFAOYSA-N
MDL Number	MFCD07367087
Molecular Formula	C5H7NO
Molecular Weight	97.1152
SMILES	CCC(CC#N)=O
Synonyms	3-oxopentanenitrile, 33279-01-5, Pentanenitrile, 3-oxo-, 3-Oxo-Pentanenitrile, 1-Cyanobutan-2-one, Propanoylacetonitrile, 1-Cyanobutan-2-One, cyanobutanone, 2-butanone cyanide, 3-Oxopentanonitrile, Propanoylacetonitrile, Propionylacetonitrile, ACMC-20amza, cyanomethyl ethyl ketone, AC1Q2ROL, CTK1C0894, DTXSID90432770, KOYWUYIBEXFRFH-UHFFFAOYSA-N, BBL103861, MFCD07367087, STL557671, ZINC12359719, AKOS005254976, TRA0057382, KS-00000C08, CJ-13931, SC-26865, SY004535, AB0054207, AB1004470, DB-068794, TR-013948, FT-0678364, MFCD07367087 (96%), K-7679, J-019122, I14-13598, 3-Oxopentanenitrile, 99% 250mg, CID9920369,

Complexity	109
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	97.053g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	97.117g/mol
Monoisotopic Mass	97.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301-H312-H315-H319-H332-H335
Precuationary statements	P261-P280-P301+P310-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number