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626-33-5 | 2-Methylheptan-4-one
CAS No: 626-33-5 Catalog No: AG003HPC MDL No:MFCD00027143
Product Description
Catalog Number:
AG003HPC
Chemical Name:
2-Methylheptan-4-one
CAS Number:
626-33-5
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00027143
IUPAC Name:
2-methylheptan-4-one
InChI:
InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChI Key:
AKRJXOYALOGLHQ-UHFFFAOYSA-N
SMILES:
CCCC(=O)CC(C)C
EC Number:
210-943-1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Aggregation pheromone of Metamasius spinolae (Coleoptera: Curculionidae): chemical analysis and field test. | Environmental entomology 20070201 |
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