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195864-80-3 | 6H-Oxazolo[3',4':1,2]pyrrolo[3,4-d]-1,2,3-triazole(9CI)
CAS No: 195864-80-3 Catalog No: AG00746O MDL No:MFCD28161258
Product Description
Catalog Number:
AG00746O
Chemical Name:
6H-Oxazolo[3',4':1,2]pyrrolo[3,4-d]-1,2,3-triazole(9CI)
CAS Number:
195864-80-3
Molecular Formula:
C6H4N4O
Molecular Weight:
148.1222
MDL Number:
MFCD28161258
IUPAC Name:
10-oxa-3,4,5,8-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,4,6-tetraene
InChI:
InChI=1S/C6H4N4O/c1-4-6(8-9-7-4)5-2-11-3-10(1)5/h1-2H,3H2
InChI Key:
BECHYSCXVRRXAB-UHFFFAOYSA-N
SMILES:
N1=Nc2c(=N1)c1=COCn1c2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.125g/mol
Monoisotopic Mass:
148.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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