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79405-30-4 | Acetaldehyde, cycloheptylidene-
CAS No: 79405-30-4 Catalog No: AG008M6X MDL No:
Product Description
Catalog Number:
AG008M6X
Chemical Name:
Acetaldehyde, cycloheptylidene-
CAS Number:
79405-30-4
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
2-cycloheptylideneacetaldehyde
InChI:
InChI=1S/C9H14O/c10-8-7-9-5-3-1-2-4-6-9/h7-8H,1-6H2
InChI Key:
CSDNDMWRNSUNKX-UHFFFAOYSA-N
SMILES:
O=CC=C1CCCCCC1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of cycloalkylidene carboxylic acids as novel effectors of Ras/Raf interaction. | Journal of medicinal chemistry 20020328 |
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