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167073-61-2 | Cyclohexanone, 2,3-dimethyl-, (2R,3R)-
CAS No: 167073-61-2 Catalog No: AG001X3U MDL No:
Product Description
Catalog Number:
AG001X3U
Chemical Name:
Cyclohexanone, 2,3-dimethyl-, (2R,3R)-
CAS Number:
167073-61-2
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
(2R,3R)-2,3-dimethylcyclohexan-1-one
InChI:
InChI=1S/C8H14O/c1-6-4-3-5-8(9)7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChI Key:
OZCVOEUWYVVVME-RNFRBKRXSA-N
SMILES:
C[C@@H]1[C@H](C)CCCC1=O
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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