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1121-54-6 | 1,3-Cyclohexadiene-1-carboxaldehyde
CAS No: 1121-54-6 Catalog No: AG007UFX MDL No:
Product Description
Catalog Number:
AG007UFX
Chemical Name:
1,3-Cyclohexadiene-1-carboxaldehyde
CAS Number:
1121-54-6
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
cyclohexa-1,3-diene-1-carbaldehyde
InChI:
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-2,4,6H,3,5H2
InChI Key:
LQXUYPKOOOUVJB-UHFFFAOYSA-N
SMILES:
C1CC=CC=C1C=O
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.14g/mol
Monoisotopic Mass:
108.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and cellular effects of cycloterpenals: cyclohexadienal-based activators of neurite outgrowth. | Bioorganic & medicinal chemistry 20080815 |
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