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2520-63-0 | 5-Hepten-2-one, 6-methyl-3-(1-methylethylidene)-
CAS No: 2520-63-0 Catalog No: AG002QVR MDL No:
Product Description
Catalog Number:
AG002QVR
Chemical Name:
5-Hepten-2-one, 6-methyl-3-(1-methylethylidene)-
CAS Number:
2520-63-0
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
6-methyl-3-propan-2-ylidenehept-5-en-2-one
InChI:
InChI=1S/C11H18O/c1-8(2)6-7-11(9(3)4)10(5)12/h6H,7H2,1-5H3
InChI Key:
XUOWQIBGRJIEDN-UHFFFAOYSA-N
SMILES:
CC(=CCC(=C(C)C)C(=O)C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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