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124027-77-6 | Dibenz[a,h]anthracene-1,2-diol
CAS No: 124027-77-6 Catalog No: AG000LF9 MDL No:
Product Description
Catalog Number:
AG000LF9
Chemical Name:
Dibenz[a,h]anthracene-1,2-diol
CAS Number:
124027-77-6
Molecular Formula:
C22H14O2
Molecular Weight:
310.3454
IUPAC Name:
pentacyclo[12.8.0.01,18.03,12.04,9]docosa-2,4(9),5,7,10,12,14,16,18,20-decaene-5,6-diol
InChI:
InChI=1S/C22H16O2/c23-19-10-9-14-7-8-15-12-17-6-3-5-16-4-1-2-11-22(16,17)13-18(15)20(14)21(19)24/h1-10,12-13,23-24H,11H2
InChI Key:
TYXSOVATLHBJBB-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1O)c1cc3ccc4c(c3cc1cc2)cccc4
Properties
Complexity:
802
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.368g/mol
Monoisotopic Mass:
312.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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