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189-96-8

189-96-8 | Benzo[pqr]picene

CAS No: 189-96-8 Catalog No: AG002HOJ MDL No:

Product Description

Catalog Number:
AG002HOJ
Chemical Name:
Benzo[pqr]picene
CAS Number:
189-96-8
Molecular Formula:
C24H14
Molecular Weight:
302.3680
IUPAC Name:
hexacyclo[14.6.2.02,11.05,10.013,23.020,24]tetracosa-1(23),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
InChI:
InChI=1S/C24H14/c1-2-7-19-15(4-1)10-12-20-21-13-11-17-6-3-5-16-8-9-18(14-22(19)20)24(21)23(16)17/h1-14H
InChI Key:
VOIIGLOUBINLKK-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1cc3ccc4c5c3c(c1cc2)ccc5ccc4
EC Number:
205-879-6

Properties

Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.11g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.376g/mol
Monoisotopic Mass:
302.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2  

Literature

Title Journal
Polycyclic aromatic hydrocarbons identified in soot extracts from domestic coal-burning stoves of Henan Province, China. Environmental science & technology 20010515

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