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178625-88-2 | 2H-Thiopyrano[2,3-e]benzofuran-2-one
CAS No: 178625-88-2 Catalog No: AG00266O MDL No:
Product Description
Catalog Number:
AG00266O
Chemical Name:
2H-Thiopyrano[2,3-e]benzofuran-2-one
CAS Number:
178625-88-2
Molecular Formula:
C11H6O2S
Molecular Weight:
202.2291
IUPAC Name:
thiopyrano[2,3-e][1]benzofuran-2-one
InChI:
InChI=1S/C11H6O2S/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
InChI Key:
MBFAEWRXKMICFK-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(s1)c1ccoc1cc2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.009g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.227g/mol
Monoisotopic Mass:
202.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 1-Thioangelicin: crystal structure, computer-aided studies and photobiological activity. | Farmaco (Societa chimica italiana : 1989) 20040201 |
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