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81-31-2 | VIOLANTHRENE
CAS No: 81-31-2 Catalog No: AG00534A MDL No:
Product Description
Catalog Number:
AG00534A
Chemical Name:
VIOLANTHRENE
CAS Number:
81-31-2
Molecular Formula:
C34H20
Molecular Weight:
428.5226
IUPAC Name:
nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene
InChI:
InChI=1S/C34H20/c1-3-7-23-19(5-1)17-21-9-11-27-28-12-10-22-18-20-6-2-4-8-24(20)26-14-16-30(34(28)32(22)26)29-15-13-25(23)31(21)33(27)29/h1-16H,17-18H2
InChI Key:
JAIHDOVRCZNXDU-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1ccc3c4c1c(C2)ccc4c1c2c3ccc3c2c(cc1)Cc1c3cccc1
Properties
Complexity:
732
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.157g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.534g/mol
Monoisotopic Mass:
428.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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