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10269-22-4 | 5,6-Octadien-2-one, 7-methyl-
CAS No: 10269-22-4 Catalog No: AG000852 MDL No:
Product Description
Catalog Number:
AG000852
Chemical Name:
5,6-Octadien-2-one, 7-methyl-
CAS Number:
10269-22-4
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
7-methylocta-5,6-dien-2-one
InChI:
InChI=1S/C9H14O/c1-8(2)6-4-5-7-9(3)10/h4H,5,7H2,1-3H3
InChI Key:
GKMIKGPHKNLELE-UHFFFAOYSA-N
SMILES:
CC(=O)CCC=C=C(C)C
Properties
Complexity:
167
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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