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133358-39-1 | 6-Hepten-2-one, 3-hydroxy-3-methyl-
CAS No: 133358-39-1 Catalog No: AG0014QM MDL No:
Product Description
Catalog Number:
AG0014QM
Chemical Name:
6-Hepten-2-one, 3-hydroxy-3-methyl-
CAS Number:
133358-39-1
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
3-hydroxy-3-methylhept-6-en-2-one
InChI:
InChI=1S/C8H14O2/c1-4-5-6-8(3,10)7(2)9/h4,10H,1,5-6H2,2-3H3
InChI Key:
WGRLBQZCFMEYFJ-UHFFFAOYSA-N
SMILES:
CC(C(=O)C)(CCC=C)O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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