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Home > Pyridines > 174713-67-8
174713-67-8 | 2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS No: 174713-67-8 Catalog No: AG00ISGJ MDL No:MFCD03001295
Product Description
Catalog Number:
AG00ISGJ
Chemical Name:
2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
174713-67-8
Molecular Formula:
C10H6N2OS
Molecular Weight:
202.2324
MDL Number:
MFCD03001295
IUPAC Name:
2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C10H6N2OS/c11-6-8-7(3-4-12-10(8)13)9-2-1-5-14-9/h1-5H,(H,12,13)
InChI Key:
XCPYVKHGOXOHEJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]ccc1c1cccs1
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
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