AG008UAE

1187-87-7 | 5-Methyl-3-methylene-2-hexanone

AG008UAE

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CAS Number	1187-87-7
Catalog Number	AG008UAE(AGN-PC-0JKBRB)
Chemical Name	5-Methyl-3-methylene-2-hexanone
IUPAC Name	5-methyl-3-methylidenehexan-2-one
InChI	InChI=1S/C8H14O/c1-6(2)5-7(3)8(4)9/h6H,3,5H2,1-2,4H3
InChI Key	AGMJVYMZEAWWND-UHFFFAOYSA-N
MDL Number	MFCD18205964
Molecular Formula	C8H14O
Molecular Weight	126.1962
SMILES	CC(CC(C(C)=O)=C)C
Synonyms	1187-87-7, 5-METHYL-3-METHYLENE-2-HEXANONE, 5-Methyl-3-methylenehexan-2-one, 5-methyl-3-methylidenehexan-2-one, 2-Hexanone, 5-methyl-3-methylene-, AC1L23WK, 3-Isobutyl-3-buten-2-one #, SCHEMBL12447513, DTXSID40152214, AGMJVYMZEAWWND-UHFFFAOYSA-N, ZINC2039801, AKOS022182574, AJ-33198, 3-Isobutyl-3-buten-2-one, CID14473,

Complexity	123
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.104g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.199g/mol
Monoisotopic Mass	126.104g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 1224

Certificate of Analysis

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