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16647-01-1 | 4,5-Heptadien-2-one, 6-methyl-
CAS No: 16647-01-1 Catalog No: AG001WRP MDL No:
Product Description
Catalog Number:
AG001WRP
Chemical Name:
4,5-Heptadien-2-one, 6-methyl-
CAS Number:
16647-01-1
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
6-methylhepta-4,5-dien-2-one
InChI:
InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4H,6H2,1-3H3
InChI Key:
HVTJTPGLVGKGRS-UHFFFAOYSA-N
SMILES:
CC(=O)CC=C=C(C)C
Properties
Complexity:
155
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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