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928-68-7 | 6-Methylheptan-2-one
CAS No: 928-68-7 Catalog No: AG003NAO MDL No:MFCD00026527
Product Description
Catalog Number:
AG003NAO
Chemical Name:
6-Methylheptan-2-one
CAS Number:
928-68-7
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00026527
IUPAC Name:
6-methylheptan-2-one
InChI:
InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
InChI Key:
DPLGXGDPPMLJHN-UHFFFAOYSA-N
SMILES:
CC(CCCC(=O)C)C
EC Number:
213-179-7
NSC Number:
39665
Properties
Complexity:
84.6
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:
2.2
Literature
| Title | Journal |
|---|---|
| The volatile compounds in lamb fat are affected by the time of grazing. | Meat science 20120201 |
| Volatile components in metatarsal glands of sika deer, Cervus nippon. | Journal of chemical ecology 20031201 |
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