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Home > Pyridines > 1955493-79-4
1955493-79-4 | 3-oxo-3-(pyridin-3-yl)propanenitrile, oxalic acid
CAS No: 1955493-79-4 Catalog No: AG01B8HD MDL No:MFCD16988603
Product Description
Catalog Number:
AG01B8HD
Chemical Name:
3-oxo-3-(pyridin-3-yl)propanenitrile, oxalic acid
CAS Number:
1955493-79-4
Molecular Formula:
C10H8N2O5
Molecular Weight:
236.1809
MDL Number:
MFCD16988603
IUPAC Name:
oxalic acid;3-oxo-3-pyridin-3-ylpropanenitrile
InChI:
InChI=1S/C8H6N2O.C2H2O4/c9-4-3-8(11)7-2-1-5-10-6-7;3-1(4)2(5)6/h1-2,5-6H,3H2;(H,3,4)(H,5,6)
InChI Key:
ROFGNSHCGZEEDP-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.N#CCC(=O)c1cccnc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.183g/mol
Monoisotopic Mass:
236.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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