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5664-21-1 | 2-Cyclohexylacetaldehyde
CAS No: 5664-21-1 Catalog No: AG003A2B MDL No:MFCD02261737
Product Description
Catalog Number:
AG003A2B
Chemical Name:
2-Cyclohexylacetaldehyde
CAS Number:
5664-21-1
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD02261737
IUPAC Name:
2-cyclohexylacetaldehyde
InChI:
InChI=1S/C8H14O/c9-7-6-8-4-2-1-3-5-8/h7-8H,1-6H2
InChI Key:
JJMDTERTPNYIGZ-UHFFFAOYSA-N
SMILES:
O=CCC1CCCCC1
NSC Number:
244934
Properties
Complexity:
82.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 2beta-(N-substituted piperazino)-5alpha-androstane-3alpha,17beta-diols: parallel solid-phase synthesis and antiproliferative activity on human leukemia HL-60 cells. | Journal of combinatorial chemistry 20070101 |
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