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83212-19-5 | 2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-
CAS No: 83212-19-5 Catalog No: AG004UMR MDL No:
Product Description
Catalog Number:
AG004UMR
Chemical Name:
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-
CAS Number:
83212-19-5
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
2-(2-hydroxypropan-2-yl)-5-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H16O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h5,7,12H,4,6H2,1-3H3
InChI Key:
SNBPZAIQWQXUCR-UHFFFAOYSA-N
SMILES:
CC1CC=C(C(=O)C1)C(O)(C)C
Properties
Complexity:
226
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:
1.6
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