AG0037ME

19549-80-5 | 4,6-Dimethylheptan-2-one

AG0037ME

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CAS Number	19549-80-5
Catalog Number	AG0037ME(AGN-PC-07ACUQ)
Chemical Name	4,6-Dimethylheptan-2-one
EC Number	243-148-3
IUPAC Name	4,6-dimethylheptan-2-one
InChI	InChI=1S/C9H18O/c1-7(2)5-8(3)6-9(4)10/h7-8H,5-6H2,1-4H3
InChI Key	YXFDTUKUWNQPFV-UHFFFAOYSA-N
MDL Number	MFCD00048360
Molecular Formula	C9H18O
Molecular Weight	142.2386
SMILES	CC(CC(C)CC(C)C)=O
Synonyms	4,6-Dimethylheptan-2-one, 19549-80-5, 4,6-Dimethyl-2-heptanone, 2-Heptanone, 4,6-dimethyl-, 4,6-Dimethyl-2-Heptanon, YXFDTUKUWNQPFV-UHFFFAOYSA-N, 2,4-dimethyl-6-heptanone, EINECS 243-148-3, 4,6-dimethylheptanone, AC1L3HBA, 2-Heptanone,4,6-dimethyl-, KSC494O7J, SCHEMBL183207, CTK3J4774, KS-00000ZNH, 0099AB, AKOS006275380, DS-6352, NE21224, AN-18041, DB-065885, RT-002178, FT-0688209, W-110500, C9H18O, C9-H18-O, CID89180,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.136g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.242g/mol
Monoisotopic Mass	142.136g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 1993

Certificate of Analysis

Lot Number