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30652-13-2 | 4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-propyl-
CAS No: 30652-13-2 Catalog No: AG0030RJ MDL No:MFCD01690791
Product Description
Catalog Number:
AG0030RJ
Chemical Name:
4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-propyl-
CAS Number:
30652-13-2
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD01690791
IUPAC Name:
3-hydroxy-2-methyl-1-propylpyridin-4-one
InChI:
InChI=1S/C9H13NO2/c1-3-5-10-6-4-8(11)9(12)7(10)2/h4,6,12H,3,5H2,1-2H3
InChI Key:
BFUSTCYJXIZANF-UHFFFAOYSA-N
SMILES:
Cc1c(O)c(=O)ccn1CCC
NSC Number:
649420
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| A Maillard reaction product enhances eNOS activity in human endothelial cells. | Molecular nutrition & food research 20100701 |
| Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives. | European journal of medicinal chemistry 20090501 |
| Effects on Mycobacterium avium replication in normal human macrophages by deferiprone (L1) and other iron chelators. Possible implications on toxicity. | Arzneimittel-Forschung 20020101 |
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