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191-81-1 | Dibenzo[a,n]perylene
CAS No: 191-81-1 Catalog No: AG002EZB MDL No:
Product Description
Catalog Number:
AG002EZB
Chemical Name:
Dibenzo[a,n]perylene
CAS Number:
191-81-1
Molecular Formula:
C28H16
Molecular Weight:
352.4266
IUPAC Name:
heptacyclo[13.11.1.12,10.03,8.019,27.020,25.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tetradecaene
InChI:
InChI=1S/C28H16/c1-3-10-20-18(8-1)16-25-27-22(20)13-6-14-24(27)23-12-5-9-19-15-17-7-2-4-11-21(17)28(25)26(19)23/h1-16H
InChI Key:
ZMEZWZQVJAYSED-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c3c2cccc3c2c3c1c1ccccc1cc3ccc2
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.125g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.436g/mol
Monoisotopic Mass:
352.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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