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1447-26-3 | 4-Hepten-3-one, 5-methyl-
CAS No: 1447-26-3 Catalog No: AG001K19 MDL No:
Product Description
Catalog Number:
AG001K19
Chemical Name:
4-Hepten-3-one, 5-methyl-
CAS Number:
1447-26-3
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
5-methylhept-4-en-3-one
InChI:
InChI=1S/C8H14O/c1-4-7(3)6-8(9)5-2/h6H,4-5H2,1-3H3
InChI Key:
XJEHTASYOBAEDB-UHFFFAOYSA-N
SMILES:
CCC(=CC(=O)CC)C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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