AG003NA6

3002-23-1 | 6-Methyl-2,4-heptanedione

AG003NA6

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CAS Number	3002-23-1
Catalog Number	AG003NA6(AGN-PC-0JLPZ1)
Chemical Name	6-Methyl-2,4-heptanedione
EC Number	221-093-6
IUPAC Name	6-methylheptane-2,4-dione
InChI	InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3
InChI Key	IGMOYJSFRIASIE-UHFFFAOYSA-N
MDL Number	MFCD00008939
Molecular Formula	C8H14O2
Molecular Weight	142.1956
NSC Number	94
SMILES	CC(CC(CC(C)C)=O)=O
UNII	O97VUG08UB
Synonyms	6-Methyl-2,4-heptanedione, 6-Methylheptane-2,4-dione, 3002-23-1, Isovalerylacetone, 2,4-Heptanedione, 6-methyl-, UNII-O97VUG08UB, 6-Methylheptan-2,4-dione, O97VUG08UB, IGMOYJSFRIASIE-UHFFFAOYSA-N, MFCD00008939, NSC94, NSC 94, EINECS 221-093-6, AI3-11696, AC1L2QQB, ACMC-1CT2P, 6-methyl-2,4-heptandione, AC1Q1P2E, AC1Q5GU7, 2,4-Heptanedione,6-methyl-, SCHEMBL110123, NSC-94, DTXSID5062768, CTK4G4209, ZINC4262605, ZX-AT015151, ANW-26753, LMFA12000040, STL185628, AKOS004115498, 6-Methyl-2,4-heptanedione, >=98%, ACM3002231, FCH1117646, MCULE-2279264895, OR12800, TRA0049426, AN-20861, CC-22869, DB-047690, TC-115498, AK00386801, FT-0621234, M0597, C-28158, J-017735, I14-92129, 2, 6-methyl-, C8H14O2, CID76354, AR-1J2846, C8-H14-O2, 3088-18-4,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.099g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.198g/mol
Monoisotopic Mass	142.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
Signal Words	danger
UN Code	UN 1993

Certificate of Analysis

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