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1588441-37-5 | 2-Pyridinecarboxylic acid, 5-methyl-, hydrate (1:1)
CAS No: 1588441-37-5 Catalog No: AG001QY6 MDL No:MFCD26383923
Product Description
Catalog Number:
AG001QY6
Chemical Name:
2-Pyridinecarboxylic acid, 5-methyl-, hydrate (1:1)
CAS Number:
1588441-37-5
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD26383923
IUPAC Name:
5-methylpyridine-2-carboxylic acid;hydrate
InChI:
InChI=1S/C7H7NO2.H2O/c1-5-2-3-6(7(9)10)8-4-5;/h2-4H,1H3,(H,9,10);1H2
InChI Key:
ZLVGPXMAZOSNRR-UHFFFAOYSA-N
SMILES:
Cc1ccc(nc1)C(=O)O.O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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