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7516-31-6 | 4(1H)-Pyridinone,2,6-dimethyl-
CAS No: 7516-31-6 Catalog No: AG005E2O MDL No:MFCD00956021
Product Description
Catalog Number:
AG005E2O
Chemical Name:
4(1H)-Pyridinone,2,6-dimethyl-
CAS Number:
7516-31-6
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD00956021
IUPAC Name:
2,6-dimethyl-1H-pyridin-4-one
InChI:
InChI=1S/C7H9NO/c1-5-3-7(9)4-6(2)8-5/h3-4H,1-2H3,(H,8,9)
InChI Key:
PRAFLUMTYHBEHE-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(C)cc(=O)c1
EC Number:
237-089-2
UNII:
92JKJ9S198
NSC Number:
111932
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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