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69627-02-7 | Thieno[3,2-b]pyridin-7(4H)-one
CAS No: 69627-02-7 Catalog No: AG00FAGE MDL No:MFCD12964174
Product Description
Catalog Number:
AG00FAGE
Chemical Name:
Thieno[3,2-b]pyridin-7(4H)-one
CAS Number:
69627-02-7
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
MDL Number:
MFCD12964174
IUPAC Name:
4H-thieno[3,2-b]pyridin-7-one
InChI:
InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9)
InChI Key:
AACVULYSNJAKEQ-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]c2c1scc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.183g/mol
Monoisotopic Mass:
151.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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