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81842-43-5 | 3-Cyclohexen-1-one, 4-(3-oxobutyl)-
CAS No: 81842-43-5 Catalog No: AG005HTO MDL No:
Product Description
Catalog Number:
AG005HTO
Chemical Name:
3-Cyclohexen-1-one, 4-(3-oxobutyl)-
CAS Number:
81842-43-5
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
4-(3-oxobutyl)cyclohex-3-en-1-one
InChI:
InChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4H,2-3,5-7H2,1H3
InChI Key:
HTNMIOPWKNKLTE-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1=CCC(=O)CC1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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