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202738-41-8 | Azeto[2,3-d]oxazolo[3,2-c]pyrimidine(9CI)
CAS No: 202738-41-8 Catalog No: AG0028DB MDL No:
Product Description
Catalog Number:
AG0028DB
Chemical Name:
Azeto[2,3-d]oxazolo[3,2-c]pyrimidine(9CI)
CAS Number:
202738-41-8
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
IUPAC Name:
11-oxa-2,6,8-triazatricyclo[6.3.0.01,4]undeca-2,4,6,9-tetraene
InChI:
InChI=1S/C7H5N3O/c1-2-11-7-6(4-9-7)3-8-5-10(1)7/h1-5H
InChI Key:
MDTMXENHTWSSGH-UHFFFAOYSA-N
SMILES:
N1=CN2C=COC32C(=C1)C=N3
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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