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209-86-9 | Cyclopent[cd]azulene
CAS No: 209-86-9 Catalog No: AG002K0X MDL No:
Product Description
Catalog Number:
AG002K0X
Chemical Name:
Cyclopent[cd]azulene
CAS Number:
209-86-9
Molecular Formula:
C12H8
Molecular Weight:
152.1919
IUPAC Name:
tricyclo[5.4.1.04,12]dodeca-1(11),2,4(12),5,7,9-hexaene
InChI:
InChI=1S/C12H8/c1-2-4-10-6-8-11-7-5-9(3-1)12(10)11/h1-8H
InChI Key:
UAOKSEHHTKPQAR-UHFFFAOYSA-N
SMILES:
c1ccc2c3c(c1)ccc3cc2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.196g/mol
Monoisotopic Mass:
152.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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