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155-54-4

155-54-4 | 4-Pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-

CAS No: 155-54-4 Catalog No: AG001NJM MDL No:MFCD00006030

Product Description

Catalog Number:
AG001NJM
Chemical Name:
4-Pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-
CAS Number:
155-54-4
Molecular Formula:
C5H6N2O4
Molecular Weight:
158.1121
MDL Number:
MFCD00006030
IUPAC Name:
2,6-dioxo-1,3-diazinane-4-carboxylic acid
InChI:
InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)
InChI Key:
UFIVEPVSAGBUSI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)NC(C1)C(=O)O

Properties

Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.033g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
158.113g/mol
Monoisotopic Mass:
158.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  

Literature

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