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Home > Other Heterocycles > 6539-41-9
6539-41-9 | Spiro[1,3-dioxolane-2,2'(1'H)-phenanthrene]-5',8'-diol
CAS No: 6539-41-9 Catalog No: AG006ROV MDL No:
Product Description
Catalog Number:
AG006ROV
Chemical Name:
Spiro[1,3-dioxolane-2,2'(1'H)-phenanthrene]-5',8'-diol
CAS Number:
6539-41-9
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
IUPAC Name:
spiro[1,3-dioxolane-2,7'-8H-phenanthrene]-1',4'-diol
InChI:
InChI=1S/C16H14O4/c17-13-3-4-14(18)15-11-5-6-16(19-7-8-20-16)9-10(11)1-2-12(13)15/h1-6,17-18H,7-9H2
InChI Key:
SQQJEYLWUMMOHY-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1c1C=CC3(Cc1cc2)OCCO3)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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