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248-93-1 | 13H-indeno[1,2-b]anthracene
CAS No: 248-93-1 Catalog No: AG002PHI MDL No:
Product Description
Catalog Number:
AG002PHI
Chemical Name:
13H-indeno[1,2-b]anthracene
CAS Number:
248-93-1
Molecular Formula:
C21H14
Molecular Weight:
266.3359
IUPAC Name:
pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
InChI:
InChI=1S/C21H14/c1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)21/h1-10,12-13H,11H2
InChI Key:
WQIFERDZMYSWOI-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1cc3cc4ccccc4cc3cc1C2
EC Number:
205-962-7
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.343g/mol
Monoisotopic Mass:
266.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Literature
| Title | Journal |
|---|---|
| Cyclopentadiene annulated polycyclic aromatic hydrocarbons: investigations of electron affinities. | Journal of the American Chemical Society 20030129 |
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