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1197-72-4 | 2-Cyclohexen-1-one, 6-hydroxy-3-methyl-6-(1-methylethyl)-
CAS No: 1197-72-4 Catalog No: AG000PHM MDL No:MFCD22049860
Product Description
Catalog Number:
AG000PHM
Chemical Name:
2-Cyclohexen-1-one, 6-hydroxy-3-methyl-6-(1-methylethyl)-
CAS Number:
1197-72-4
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD22049860
IUPAC Name:
6-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H16O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h6-7,12H,4-5H2,1-3H3
InChI Key:
JQBSYDHRTYUYCA-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)C(CC1)(O)C(C)C
Properties
Complexity:
228
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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