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6299-87-2

6299-87-2 | 6-Hydroxypyrimidine-4-carboxylic acid

CAS No: 6299-87-2 Catalog No: AG003NBP MDL No:MFCD09910318

Product Description

Catalog Number:
AG003NBP
Chemical Name:
6-Hydroxypyrimidine-4-carboxylic acid
CAS Number:
6299-87-2
Molecular Formula:
C5H4N2O3
Molecular Weight:
140.0969
MDL Number:
MFCD09910318
IUPAC Name:
6-oxo-1H-pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C5H4N2O3/c8-4-1-3(5(9)10)6-2-7-4/h1-2H,(H,9,10)(H,6,7,8)
InChI Key:
QYGHXDAYBIFGKI-UHFFFAOYSA-N
SMILES:
O=c1nc[nH]c(c1)C(=O)O
NSC Number:
45047

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.022g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
140.098g/mol
Monoisotopic Mass:
140.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  

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