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100-26-5 | 2,5-Pyridinedicarboxylic Acid
CAS No: 100-26-5 Catalog No: AG00006P MDL No:MFCD00006297
Product Description
Catalog Number:
AG00006P
Chemical Name:
2,5-Pyridinedicarboxylic Acid
CAS Number:
100-26-5
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
MDL Number:
MFCD00006297
IUPAC Name:
pyridine-2,5-dicarboxylic acid
InChI:
InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)
InChI Key:
LVPMIMZXDYBCDF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cn1)C(=O)O
EC Number:
202-834-2
UNII:
4K1KGR926X
NSC Number:
177
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
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