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13777-90-7 | 3H-Cyclopent[e]azulene
CAS No: 13777-90-7 Catalog No: AG0013UE MDL No:
Product Description
Catalog Number:
AG0013UE
Chemical Name:
3H-Cyclopent[e]azulene
CAS Number:
13777-90-7
Molecular Formula:
C13H10
Molecular Weight:
166.2185
IUPAC Name:
7H-cyclopenta[e]azulene
InChI:
InChI=1S/C13H10/c1-4-10-6-2-8-12(10)13-9-3-7-11(13)5-1/h1-6,8-9H,7H2
InChI Key:
BJESAEARLCEYSG-UHFFFAOYSA-N
SMILES:
c1cc2CC=Cc2c2c(c1)ccc2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.078g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.223g/mol
Monoisotopic Mass:
166.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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