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999-05-3 | 7-METHYL-2,4-OCTANEDIONE
CAS No: 999-05-3 Catalog No: AG003VJ7 MDL No:
Product Description
Catalog Number:
AG003VJ7
Chemical Name:
7-METHYL-2,4-OCTANEDIONE
CAS Number:
999-05-3
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
7-methyloctane-2,4-dione
InChI:
InChI=1S/C9H16O2/c1-7(2)4-5-9(11)6-8(3)10/h7H,4-6H2,1-3H3
InChI Key:
WXXUVDCIAUPLNP-UHFFFAOYSA-N
SMILES:
CC(CCC(=O)CC(=O)C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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