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94097-96-8 | 6-Azulenecarboxaldehyde
CAS No: 94097-96-8 Catalog No: AG00683U MDL No:
Product Description
Catalog Number:
AG00683U
Chemical Name:
6-Azulenecarboxaldehyde
CAS Number:
94097-96-8
Molecular Formula:
C11H8O
Molecular Weight:
156.1806
IUPAC Name:
azulene-6-carbaldehyde
InChI:
InChI=1S/C11H8O/c12-8-9-4-6-10-2-1-3-11(10)7-5-9/h1-8H
InChI Key:
FNAUNNJXVNJAGT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(cc1)ccc2
Properties
Complexity:
150
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
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