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140860-16-8 | 2-Cyclohexen-1-one, 3-(1-hydroxy-1-methylethyl)-6-methyl-, (R)- (9CI)
CAS No: 140860-16-8 Catalog No: AG001CXM MDL No:
Product Description
Catalog Number:
AG001CXM
Chemical Name:
2-Cyclohexen-1-one, 3-(1-hydroxy-1-methylethyl)-6-methyl-, (R)- (9CI)
CAS Number:
140860-16-8
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h6-7,12H,4-5H2,1-3H3
InChI Key:
UZYNBCOCHYBCCZ-UHFFFAOYSA-N
SMILES:
O=C1C=C(CC[C@H]1C)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:
0.7
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