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72758-51-1

72758-51-1 | 2(1H)-Pyrimidinone, 4-amino-, phosphate (1:1)

CAS No: 72758-51-1 Catalog No: AG005F4F MDL No:

Product Description

Catalog Number:
AG005F4F
Chemical Name:
2(1H)-Pyrimidinone, 4-amino-, phosphate (1:1)
CAS Number:
72758-51-1
Molecular Formula:
C4H8N3O5P
Molecular Weight:
209.0972
IUPAC Name:
6-amino-1H-pyrimidin-2-one;phosphoric acid
InChI:
InChI=1S/C4H5N3O.H3O4P/c5-3-1-2-6-4(8)7-3;1-5(2,3)4/h1-2H,(H3,5,6,7,8);(H3,1,2,3,4)
InChI Key:
OOKXEDHEZNSTSC-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.Nc1cc[nH]c(=O)n1

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
209.098g/mol
Monoisotopic Mass:
209.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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