AG003TT5

59997-51-2 | 4,4-Dimethyl-3-oxopentanenitrile

AG003TT5

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CAS Number	59997-51-2
Catalog Number	AG003TT5(AGN-PC-0JLGK8)
Chemical Name	4,4-Dimethyl-3-oxopentanenitrile
EC Number	262-017-1
IUPAC Name	4,4-dimethyl-3-oxopentanenitrile
InChI	InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
InChI Key	MXZMACXOMZKYHJ-UHFFFAOYSA-N
MDL Number	MFCD00010208
Molecular Formula	C7H11NO
Molecular Weight	125.1683
SMILES	CC(C)(C)C(CC#N)=O
Synonyms	Pivaloylacetonitrile, 4,4-Dimethyl-3-oxopentanenitrile, 59997-51-2, 4,4-Dimethyl-3-oxovaleronitrile, Trimethylacetylacetonitrile, Pentanenitrile, 4,4-dimethyl-3-oxo-, 4,4-Dimethyl-3-oxo-pentanenitrile, cyanopinacolone, pivaloyl acetonitrile, 1-cyano-3,3-dimethyl-2-butanone, EINECS 262-017-1, MFCD00010208, Valeronitrile, 4,4-dimethyl-3-oxo-, MXZMACXOMZKYHJ-UHFFFAOYSA-N, Pivaloylacetonitrile, 97%, 4,4-Dimethyl-3-oxopentanenitrile;4,4-Dimethyl-3-oxopentanenitrile, Pyvaolylacetonitrile, pivalyl acetonitrile, 1-CYANOPINACOLONE, AC1Q1LKO, AC1Q4RXJ, Pivaloylacetonitrile (Pvan), AC1L34YO, ACMC-1B05D, KSC492O3D, SCHEMBL133731, cyanomethyl tert.-butyl ketone, 2-tert-butylcarbonylacetonitrile, DTXSID6069375, CTK3J2731, 4,4-dimethyl-3-oxopentanonitrile, HMS1727C21, ZINC159361, 1-Cyano-3,3-dimethylbutan-2-one, 4,4-dimethyl-3-oxo pentanenitrile, 4,4-dimethyl-3-oxopentane nitrile, KS-00000KX4, STR00250, 4,4-Dimethyl-3-Oxo-Pentanonitrile, ANW-33405, BBL018127, CP-551, KM0363, SBB008437, STL183286, AKOS000119471, AS06236, CM13909, FR-2053, MCULE-7047897293, RP19647, RTR-020769, TRA0161657, 4,4-Dimethyl-3-oxopentanenitrile, 99%, AJ-15492, AN-39460, BP-21253, CJ-01885, SC-22399, TL806194, ZB007233, AB1006770, DB-053508, LS-101738, ST2417876, TR-020769, BB 0219823, CS-0029522, FT-0640652, P1112, 112053-EP2295426A1, 112053-EP2295427A1, 112053-EP2298761A1, 124823-EP2295426A1, 124823-EP2295427A1, I14-0374, Q-102775, F0001-1573, InChI=1/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H, C7H11NO, C7-H11-N-O, ACN-S002505, AR-1L1153, CID108871, ZINC00159361, Trimethylacetylacetonitrile, 99% 25g, Pivaloylacetonitrile, 98% - 100G 100g, 99494-92-5,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.084g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	125.171g/mol
Monoisotopic Mass	125.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 3439

Certificate of Analysis

Lot Number