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846557-80-0 | 2,4-Dihydroxy-6-methylnicotinic acid
CAS No: 846557-80-0 Catalog No: AG004SZL MDL No:MFCD06657553
Product Description
Catalog Number:
AG004SZL
Chemical Name:
2,4-Dihydroxy-6-methylnicotinic acid
CAS Number:
846557-80-0
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD06657553
IUPAC Name:
4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H7NO4/c1-3-2-4(9)5(7(11)12)6(10)8-3/h2H,1H3,(H,11,12)(H2,8,9,10)
InChI Key:
AEZBEQWWMNSAGB-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(n1)O)C(=O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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