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Home Other Building Blocks 2-Heptanone, 5-methyl-

2-Heptanone, 5-methyl-

CAS No.:
18217-12-4
Catalog Number:
AG0023G3
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
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Product Description
Catalog Number:
AG0023G3
Chemical Name:
2-Heptanone, 5-methyl-
CAS Number:
18217-12-4
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00048661
IUPAC Name:
5-methylheptan-2-one
InChI:
InChI=1S/C8H16O/c1-4-7(2)5-6-8(3)9/h7H,4-6H2,1-3H3
InChI Key:
WYDAUGNQLUXTFB-UHFFFAOYSA-N
SMILES:
CCC(CCC(=O)C)C
Properties
Complexity:
86.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Associations between phthalate metabolite urinary concentrations and body size measures in New York City children. Environmental research 20120101
Di-(2-ethylhexyl) phthalate and autism spectrum disorders. ASN neuro 20120101
Exposure to bisphenol A and other phenols in neonatal intensive care unit premature infants. Environmental health perspectives 20090401
Use of di(2-ethylhexyl) phthalate-containing medical products and urinary levels of mono(2-ethylhexyl) phthalate in neonatal intensive care unit infants. Environmental health perspectives 20050901
Properties