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Home > Other Heterocycles > 160-33-8
160-33-8 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]
CAS No: 160-33-8 Catalog No: AG001RLD MDL No:
Product Description
Catalog Number:
AG001RLD
Chemical Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]
CAS Number:
160-33-8
Molecular Formula:
C20H14O2
Molecular Weight:
286.3240
IUPAC Name:
spiro[1H-2-benzofuran-3,9'-xanthene]
InChI:
InChI=1S/C20H14O2/c1-2-8-15-14(7-1)13-21-20(15)16-9-3-5-11-18(16)22-19-12-6-4-10-17(19)20/h1-12H,13H2
InChI Key:
ZXCCEXHTMGOOAW-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)COC12c2ccccc2Oc2c1cccc2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.33g/mol
Monoisotopic Mass:
286.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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