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38116-61-9 | 2-Hydroxy-6-methylnicotinic acid
CAS No: 38116-61-9 Catalog No: AG003HF2 MDL No:MFCD00006272
Product Description
Catalog Number:
AG003HF2
Chemical Name:
2-Hydroxy-6-methylnicotinic acid
CAS Number:
38116-61-9
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD00006272
IUPAC Name:
6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h2-3H,1H3,(H,8,9)(H,10,11)
InChI Key:
XRIHTJYXIHOBDQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(n1)O)C(=O)O
EC Number:
253-784-3
NSC Number:
10728
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase. | Bioorganic & medicinal chemistry 20100715 |
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