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Home > Pyridines > 675830-24-7
675830-24-7 | 4,6-dimethyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carbonitrile
CAS No: 675830-24-7 Catalog No: AG00IRZG MDL No:MFCD03217148
Product Description
Catalog Number:
AG00IRZG
Chemical Name:
4,6-dimethyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
675830-24-7
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD03217148
IUPAC Name:
4,6-dimethyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
InChI:
InChI=1S/C11H12N2O/c1-4-5-13-9(3)6-8(2)10(7-12)11(13)14/h4,6H,1,5H2,2-3H3
InChI Key:
HKAGKBWOPMRCET-UHFFFAOYSA-N
SMILES:
C=CCn1c(C)cc(c(c1=O)C#N)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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