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56304-76-8 | 3-Cyano-2-hydroxy-6-(2-thienyl)-pyridine
CAS No: 56304-76-8 Catalog No: AG00EG4V MDL No:MFCD00981119
Product Description
Catalog Number:
AG00EG4V
Chemical Name:
3-Cyano-2-hydroxy-6-(2-thienyl)-pyridine
CAS Number:
56304-76-8
Molecular Formula:
C10H6N2OS
Molecular Weight:
202.2324
MDL Number:
MFCD00981119
IUPAC Name:
2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C10H6N2OS/c11-6-7-3-4-8(12-10(7)13)9-2-1-5-14-9/h1-5H,(H,12,13)
InChI Key:
JTXFPILITXFNSM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc([nH]c1=O)c1cccs1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.231g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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