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129521-73-9

129521-73-9 | Pyrimido[5,4-e]-1,2,4-dioxazine (9CI)

CAS No: 129521-73-9 Catalog No: AG000Z7G MDL No:

Product Description

Catalog Number:
AG000Z7G
Chemical Name:
Pyrimido[5,4-e]-1,2,4-dioxazine (9CI)
CAS Number:
129521-73-9
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
IUPAC Name:
pyrimido[5,4-e][1,2,4]dioxazine
InChI:
InChI=1S/C5H3N3O2/c1-4-5(7-2-6-1)10-9-3-8-4/h1-3H
InChI Key:
MTWSFXWKDVMNNJ-UHFFFAOYSA-N
SMILES:
O1C=Nc2c(O1)ncnc2

Properties

Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.098g/mol
Monoisotopic Mass:
137.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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