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74006-76-1 | Cyclohexanone, 3-(1-methylethyl)-, (3R)-
CAS No: 74006-76-1 Catalog No: AG005IJS MDL No:
Product Description
Catalog Number:
AG005IJS
Chemical Name:
Cyclohexanone, 3-(1-methylethyl)-, (3R)-
CAS Number:
74006-76-1
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
(3R)-3-propan-2-ylcyclohexan-1-one
InChI:
InChI=1S/C9H16O/c1-7(2)8-4-3-5-9(10)6-8/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChI Key:
AFFBXUKVORMWSC-MRVPVSSYSA-N
SMILES:
O=C1CCC[C@H](C1)C(C)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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