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28647-47-4 | 4H-Pyrimido[5,4-d][1,3]oxazine (8CI,9CI)
CAS No: 28647-47-4 Catalog No: AG002VZF MDL No:MFCD18820318
Product Description
Catalog Number:
AG002VZF
Chemical Name:
4H-Pyrimido[5,4-d][1,3]oxazine (8CI,9CI)
CAS Number:
28647-47-4
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
MDL Number:
MFCD18820318
IUPAC Name:
4H-pyrimido[5,4-d][1,3]oxazine
InChI:
InChI=1S/C6H5N3O/c1-5-6(8-3-7-1)2-10-4-9-5/h1,3-4H,2H2
InChI Key:
BBVFHUXAMDNDCN-UHFFFAOYSA-N
SMILES:
O1C=Nc2c(C1)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:
0
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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