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2316-78-1 | 2-Butanone, 4-(2,6-dimethyl-3-cyclohexen-1-yl)-4-hydroxy-
CAS No: 2316-78-1 Catalog No: AG002MEV MDL No:
Product Description
Catalog Number:
AG002MEV
Chemical Name:
2-Butanone, 4-(2,6-dimethyl-3-cyclohexen-1-yl)-4-hydroxy-
CAS Number:
2316-78-1
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
4-(2,6-dimethylcyclohex-3-en-1-yl)-4-hydroxybutan-2-one
InChI:
InChI=1S/C12H20O2/c1-8-5-4-6-9(2)12(8)11(14)7-10(3)13/h4-5,8-9,11-12,14H,6-7H2,1-3H3
InChI Key:
SFITZHVQCAPEBS-UHFFFAOYSA-N
SMILES:
CC(=O)CC(C1C(C)CC=CC1C)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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