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190-47-6 | Dinaphtho[8,1,2-abc:8',1',2'-jkl]coronene
CAS No: 190-47-6 Catalog No: AG002E85 MDL No:
Product Description
Catalog Number:
AG002E85
Chemical Name:
Dinaphtho[8,1,2-abc:8',1',2'-jkl]coronene
CAS Number:
190-47-6
Molecular Formula:
C36H16
Molecular Weight:
448.5122
IUPAC Name:
undecacyclo[18.14.2.02,19.03,16.04,33.05,14.06,11.07,32.024,36.027,35.029,34]hexatriaconta-1(35),2(19),3(16),4,6(11),7,9,12,14,17,20,22,24(36),25,27,29(34),30,32-octadecaene
InChI:
InChI=1S/C36H16/c1-3-17-7-9-19-15-22-12-14-26-24-6-2-4-18-8-10-20-16-21-11-13-25-23(5-1)27(17)29(19)35-32(22)34(26)36(30(20)28(18)24)31(21)33(25)35/h1-16H
InChI Key:
OPFDXHGXFJIUOF-UHFFFAOYSA-N
SMILES:
c1cc2ccc3c4c2c(c1)c1ccc2c5c1c4c1c(c3)ccc3c1c5c1c(c2)ccc2c1c3ccc2
Properties
Complexity:
874
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.125g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.524g/mol
Monoisotopic Mass:
448.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
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