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14073-97-3 | Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)-
CAS No: 14073-97-3 Catalog No: AG001CRA MDL No:MFCD00001634
Product Description
Catalog Number:
AG001CRA
Chemical Name:
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)-
CAS Number:
14073-97-3
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
MDL Number:
MFCD00001634
IUPAC Name:
(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
InChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChI Key:
NFLGAXVYCFJBMK-BDAKNGLRSA-N
SMILES:
C[C@@H]1CC[C@H](C(=O)C1)C(C)C
UNII:
5F709W4OG4
FEMA Number:
2667
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
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