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190-31-8 | Dibenzo[bc,ef]coronene
CAS No: 190-31-8 Catalog No: AG002E89 MDL No:
Product Description
Catalog Number:
AG002E89
Chemical Name:
Dibenzo[bc,ef]coronene
CAS Number:
190-31-8
Molecular Formula:
C30H14
Molecular Weight:
374.4322
IUPAC Name:
nonacyclo[16.12.0.02,15.03,12.04,29.05,10.06,27.021,30.023,28]triaconta-1(18),2(15),3(12),4,6,8,10,13,16,19,21(30),22,24,26,28-pentadecaene
InChI:
InChI=1S/C30H14/c1-3-17-13-19-11-9-15-7-8-16-10-12-20-14-18-4-2-6-22-21(5-1)23(17)29-27(19)25(15)26(16)28(20)30(29)24(18)22/h1-14H
InChI Key:
YVVKYYLDAVMMPF-UHFFFAOYSA-N
SMILES:
c1cc2cc3ccc4c5c3c3c2c(c1)c1cccc2c1c3c1c5c(cc4)ccc1c2
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.11g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.442g/mol
Monoisotopic Mass:
374.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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