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125765-61-9 | 1H-Pyrimido[4,5-c][1,2]oxazine(9CI)
CAS No: 125765-61-9 Catalog No: AG000ONU MDL No:
Product Description
Catalog Number:
AG000ONU
Chemical Name:
1H-Pyrimido[4,5-c][1,2]oxazine(9CI)
CAS Number:
125765-61-9
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
IUPAC Name:
1H-pyrimido[4,5-c]oxazine
InChI:
InChI=1S/C6H5N3O/c1-2-10-9-6-5(1)3-7-4-8-6/h1-4H,(H,7,8,9)
InChI Key:
NUOMPDYBDQUXJJ-UHFFFAOYSA-N
SMILES:
O1C=Cc2c(N1)ncnc2
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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