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161467-20-5 | [1,1'-Biazulene]-3,7-dione
CAS No: 161467-20-5 Catalog No: AG001SHV MDL No:
Product Description
Catalog Number:
AG001SHV
Chemical Name:
[1,1'-Biazulene]-3,7-dione
CAS Number:
161467-20-5
Molecular Formula:
C20H12O2
Molecular Weight:
284.3081
IUPAC Name:
3-azulen-1-ylazulene-1,5-dione
InChI:
InChI=1S/C20H12O2/c21-14-6-4-8-17-18(11-14)19(12-20(17)22)16-10-9-13-5-2-1-3-7-15(13)16/h1-12H
InChI Key:
GFJQWLWDGUMPEW-UHFFFAOYSA-N
SMILES:
O=c1cccc2c(c1)C(=CC2=O)c1ccc2c1ccccc2
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.314g/mol
Monoisotopic Mass:
284.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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