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127527-24-6 | 2,5-PYRIMIDINEDICARBOXYLIC ACID
CAS No: 127527-24-6 Catalog No: AG000X5H MDL No:MFCD16988201
Product Description
Catalog Number:
AG000X5H
Chemical Name:
2,5-PYRIMIDINEDICARBOXYLIC ACID
CAS Number:
127527-24-6
Molecular Formula:
C6H4N2O4
Molecular Weight:
168.1070
MDL Number:
MFCD16988201
IUPAC Name:
pyrimidine-2,5-dicarboxylic acid
InChI:
InChI=1S/C6H4N2O4/c9-5(10)3-1-7-4(6(11)12)8-2-3/h1-2H,(H,9,10)(H,11,12)
InChI Key:
PIVRLVQKXVLRCA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc(cn1)C(=O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.108g/mol
Monoisotopic Mass:
168.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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