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124482-32-2 | Cyclohexanone, 3-ethyl-2-methylene-, (3S)-
CAS No: 124482-32-2 Catalog No: AG000M2O MDL No:
Product Description
Catalog Number:
AG000M2O
Chemical Name:
Cyclohexanone, 3-ethyl-2-methylene-, (3S)-
CAS Number:
124482-32-2
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
(3S)-3-ethyl-2-methylidenecyclohexan-1-one
InChI:
InChI=1S/C9H14O/c1-3-8-5-4-6-9(10)7(8)2/h8H,2-6H2,1H3/t8-/m0/s1
InChI Key:
BXDZLBBXQKADPG-QMMMGPOBSA-N
SMILES:
CC[C@H]1CCCC(=O)C1=C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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