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89398-66-3 | Naphth[2,3-a]azulene-5,12-diol
CAS No: 89398-66-3 Catalog No: AG004X8G MDL No:
Product Description
Catalog Number:
AG004X8G
Chemical Name:
Naphth[2,3-a]azulene-5,12-diol
CAS Number:
89398-66-3
Molecular Formula:
C18H12O2
Molecular Weight:
260.2867
IUPAC Name:
tetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,9,11,13,15,17-nonaene-11,18-diol
InChI:
InChI=1S/C18H12O2/c19-17-13-8-4-5-9-14(13)18(20)16-12-7-3-1-2-6-11(12)10-15(16)17/h1-10,19-20H
InChI Key:
RPKKNGWCTOAQRN-UHFFFAOYSA-N
SMILES:
Oc1c2c3cccccc3cc2c(c2c1cccc2)O
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:
4.4
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