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Home > Aldehydes > 163332-89-6
163332-89-6 | Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxaldehyde
CAS No: 163332-89-6 Catalog No: AG001U1K MDL No:
Product Description
Catalog Number:
AG001U1K
Chemical Name:
Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxaldehyde
CAS Number:
163332-89-6
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
IUPAC Name:
cubane-1,4-dicarbaldehyde
InChI:
InChI=1S/C10H8O2/c11-1-9-3-6-4(9)8-5(9)7(3)10(6,8)2-12/h1-8H
InChI Key:
OHFPNYRQNMMOGT-UHFFFAOYSA-N
SMILES:
O=CC12C3C4C2C2C1C3C42C=O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Synthesis of 1,4-annulated cyclooctatetraenophanes based on a novel cubane building block approach. | The Journal of organic chemistry 20040806 |
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