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64038-03-5 | 1,4,6-TRIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
CAS No: 64038-03-5 Catalog No: AG00EEBV MDL No:MFCD00829059
Product Description
Catalog Number:
AG00EEBV
Chemical Name:
1,4,6-TRIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
CAS Number:
64038-03-5
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD00829059
IUPAC Name:
1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C9H10N2O/c1-6-4-7(2)11(3)9(12)8(6)5-10/h4H,1-3H3
InChI Key:
YHNFRZWVZUMYEJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(n(c1=O)C)C
NSC Number:
403844
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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