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139958-76-2 | 1,4'-Bipyrene
CAS No: 139958-76-2 Catalog No: AG001BVL MDL No:
Product Description
Catalog Number:
AG001BVL
Chemical Name:
1,4'-Bipyrene
CAS Number:
139958-76-2
Molecular Formula:
C32H18
Molecular Weight:
402.4853
IUPAC Name:
1-pyren-4-ylpyrene
InChI:
InChI=1S/C32H18/c1-4-19-11-13-23-14-16-25(27-17-15-21(5-1)29(19)32(23)27)28-18-24-8-2-6-20-10-12-22-7-3-9-26(28)31(22)30(20)24/h1-18H
InChI Key:
MFDVFDUKZTWEPZ-UHFFFAOYSA-N
SMILES:
c1cc2ccc3c4c2c(c1)ccc4ccc3c1cc2cccc3c2c2c1cccc2cc3
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.141g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.496g/mol
Monoisotopic Mass:
402.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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