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190-71-6 | Benzo[pqr]naphtho[8,1,2-bcd]perylene
CAS No: 190-71-6 Catalog No: AG002E80 MDL No:
Product Description
Catalog Number:
AG002E80
Chemical Name:
Benzo[pqr]naphtho[8,1,2-bcd]perylene
CAS Number:
190-71-6
Molecular Formula:
C28H14
Molecular Weight:
350.4108
IUPAC Name:
octacyclo[14.10.2.02,15.03,12.04,9.05,26.020,28.023,27]octacosa-1(26),2(15),3(12),4(9),5,7,10,13,16,18,20(28),21,23(27),24-tetradecaene
InChI:
InChI=1S/C28H14/c1-3-15-7-9-17-12-14-22-20-6-2-4-16-8-10-18-11-13-21-19(5-1)23(15)25(17)28(22)27(21)26(18)24(16)20/h1-14H
InChI Key:
VEABCKAXWWRBAF-UHFFFAOYSA-N
SMILES:
c1cc2ccc3c4c2c(c1)c1ccc2c5c1c4c(cc3)c1c5c(cc2)ccc1
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.11g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.42g/mol
Monoisotopic Mass:
350.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
Literature
| Title | Journal |
|---|---|
| First identification of benzo[ghi]naphtho[8,1,2-bcd]perylene as a product of fuel pyrolysis, using high-performance liquid chromatography with diode-array ultraviolet-visible absorbance detection and mass spectrometry. | Journal of chromatography. A 20060915 |
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