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63873-60-9 | 4-Hydroxythieno[2,3-b]pyridine-5-carbonitrile
CAS No: 63873-60-9 Catalog No: AG003LJY MDL No:MFCD12755339
Product Description
Catalog Number:
AG003LJY
Chemical Name:
4-Hydroxythieno[2,3-b]pyridine-5-carbonitrile
CAS Number:
63873-60-9
Molecular Formula:
C8H4N2OS
Molecular Weight:
176.1952
MDL Number:
MFCD12755339
IUPAC Name:
4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C8H4N2OS/c9-3-5-4-10-8-6(7(5)11)1-2-12-8/h1-2,4H,(H,10,11)
InChI Key:
QROBHKWUYLHWHA-UHFFFAOYSA-N
SMILES:
Oc1c(cnc2c1ccs2)C#N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.193g/mol
Monoisotopic Mass:
176.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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