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129983-41-1 | 5,6-Chrysenediol
CAS No: 129983-41-1 Catalog No: AG000TUM MDL No:
Product Description
Catalog Number:
AG000TUM
Chemical Name:
5,6-Chrysenediol
CAS Number:
129983-41-1
Molecular Formula:
C18H12O2
Molecular Weight:
260.2867
IUPAC Name:
chrysene-5,6-diol
InChI:
InChI=1S/C18H12O2/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20/h1-10,19-20H
InChI Key:
HQGQPMPRJLUNRZ-UHFFFAOYSA-N
SMILES:
Oc1c2ccccc2c2c(c1O)c1ccccc1cc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.292g/mol
Monoisotopic Mass:
260.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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