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147583-58-2 | Cyclohexanone, 2-ethyl-2-methyl-, (2S)-
CAS No: 147583-58-2 Catalog No: AG001EZT MDL No:
Product Description
Catalog Number:
AG001EZT
Chemical Name:
Cyclohexanone, 2-ethyl-2-methyl-, (2S)-
CAS Number:
147583-58-2
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
(2S)-2-ethyl-2-methylcyclohexan-1-one
InChI:
InChI=1S/C9H16O/c1-3-9(2)7-5-4-6-8(9)10/h3-7H2,1-2H3/t9-/m0/s1
InChI Key:
HWWMXGWPAOOQOE-VIFPVBQESA-N
SMILES:
CC[C@@]1(C)CCCCC1=O
Properties
Complexity:
140
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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