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7206-61-3 | 1-Azulenecarboxaldehyde
CAS No: 7206-61-3 Catalog No: AG005DAZ MDL No:MFCD19301077
Product Description
Catalog Number:
AG005DAZ
Chemical Name:
1-Azulenecarboxaldehyde
CAS Number:
7206-61-3
Molecular Formula:
C11H8O
Molecular Weight:
156.1806
MDL Number:
MFCD19301077
IUPAC Name:
azulene-1-carbaldehyde
InChI:
InChI=1S/C11H8O/c12-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-8H
InChI Key:
CZRXLQPVJOJLML-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c1ccccc2
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.184g/mol
Monoisotopic Mass:
156.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| A comprehensive investigation of the interrelationships between spectroscopy and photochemistry and substituents of some azulenic derivatives. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080101 |
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