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144054-69-3 | Cyclohexanone, 2-(1-ethylpropylidene)-
CAS No: 144054-69-3 Catalog No: AG001IU8 MDL No:
Product Description
Catalog Number:
AG001IU8
Chemical Name:
Cyclohexanone, 2-(1-ethylpropylidene)-
CAS Number:
144054-69-3
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
2-pentan-3-ylidenecyclohexan-1-one
InChI:
InChI=1S/C11H18O/c1-3-9(4-2)10-7-5-6-8-11(10)12/h3-8H2,1-2H3
InChI Key:
BJLOXKUDBXCPAO-UHFFFAOYSA-N
SMILES:
CCC(=C1CCCCC1=O)CC
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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