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Home > Pyridines > 1186405-15-1
1186405-15-1 | 3-oxo-3-{thieno[2,3-b]pyridin-2-yl}propanenitrile
CAS No: 1186405-15-1 Catalog No: AG00IWRA MDL No:MFCD12827817
Product Description
Catalog Number:
AG00IWRA
Chemical Name:
3-oxo-3-{thieno[2,3-b]pyridin-2-yl}propanenitrile
CAS Number:
1186405-15-1
Molecular Formula:
C10H6N2OS
Molecular Weight:
202.2324
MDL Number:
MFCD12827817
IUPAC Name:
3-oxo-3-thieno[2,3-b]pyridin-2-ylpropanenitrile
InChI:
InChI=1S/C10H6N2OS/c11-4-3-8(13)9-6-7-2-1-5-12-10(7)14-9/h1-2,5-6H,3H2
InChI Key:
PLMMLXDBVSVQFN-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cc2c(s1)nccc2
Properties
Complexity:
283
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.231g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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