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209-42-7 | Cyclopenta[ef]heptalene
CAS No: 209-42-7 Catalog No: AG002K03 MDL No:
Product Description
Catalog Number:
AG002K03
Chemical Name:
Cyclopenta[ef]heptalene
CAS Number:
209-42-7
Molecular Formula:
C14H10
Molecular Weight:
178.2292
IUPAC Name:
tricyclo[7.4.1.04,14]tetradeca-1(14),2,4,6,8,10,12-heptaene
InChI:
InChI=1S/C14H10/c1-3-7-12-9-10-13-8-4-2-6-11(5-1)14(12)13/h1-10H
InChI Key:
WTIGTBJFTNVUPS-UHFFFAOYSA-N
SMILES:
c1ccc2c3c(c1)ccccc3cc2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.234g/mol
Monoisotopic Mass:
178.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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