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21087-34-3 | Cyclohexanone, 2,5-dimethyl-, (2R,5S)-rel-
CAS No: 21087-34-3 Catalog No: AG002L0R MDL No:
Product Description
Catalog Number:
AG002L0R
Chemical Name:
Cyclohexanone, 2,5-dimethyl-, (2R,5S)-rel-
CAS Number:
21087-34-3
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
(2S,5R)-2,5-dimethylcyclohexan-1-one
InChI:
InChI=1S/C8H14O/c1-6-3-4-7(2)8(9)5-6/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChI Key:
LUGFNAYTNQMMMY-RQJHMYQMSA-N
SMILES:
C[C@H]1CC[C@H](C(=O)C1)C
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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