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28799-82-8 | 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-
CAS No: 28799-82-8 Catalog No: AG002WJ6 MDL No:MFCD00100129
Product Description
Catalog Number:
AG002WJ6
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-
CAS Number:
28799-82-8
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD00100129
IUPAC Name:
2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C9H10N2O3/c1-6-4-8(13)11(2-3-12)9(14)7(6)5-10/h4,12,14H,2-3H2,1H3
InChI Key:
YPVUBDAGJFYZIR-UHFFFAOYSA-N
SMILES:
OCCn1c(O)cc(c(c1=O)C#N)C
EC Number:
249-231-0
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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