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18194-21-3 | Cyclohexanone, 2-hydroxy-5-methyl-2-(1-methylethenyl)-
CAS No: 18194-21-3 Catalog No: AG00238H MDL No:
Product Description
Catalog Number:
AG00238H
Chemical Name:
Cyclohexanone, 2-hydroxy-5-methyl-2-(1-methylethenyl)-
CAS Number:
18194-21-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
2-hydroxy-5-methyl-2-prop-1-en-2-ylcyclohexan-1-one
InChI:
InChI=1S/C10H16O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h8,12H,1,4-6H2,2-3H3
InChI Key:
AALYQEIWIWMEAJ-UHFFFAOYSA-N
SMILES:
CC1CCC(C(=O)C1)(O)C(=C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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