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113779-16-1 | Benzo[l]cyclopenta[cd]pyrene
CAS No: 113779-16-1 Catalog No: AG0009NA MDL No:
Product Description
Catalog Number:
AG0009NA
Chemical Name:
Benzo[l]cyclopenta[cd]pyrene
CAS Number:
113779-16-1
Molecular Formula:
C22H12
Molecular Weight:
276.3307
IUPAC Name:
hexacyclo[16.3.1.04,21.07,20.08,13.014,19]docosa-1(22),2,4(21),5,7(20),8,10,12,14,16,18-undecaene
InChI:
InChI=1S/C22H12/c1-2-6-17-16(5-1)18-7-3-4-14-12-15-9-8-13-10-11-19(17)22(20(13)15)21(14)18/h1-12H
InChI Key:
MEWBBKSDPHWBAG-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3
UNII:
82071504XO
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.338g/mol
Monoisotopic Mass:
276.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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