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87988-95-2 | Isoxazole, 4-azido-5-methyl-
CAS No: 87988-95-2 Catalog No: AG004OTV MDL No:
Product Description
Catalog Number:
AG004OTV
Chemical Name:
Isoxazole, 4-azido-5-methyl-
CAS Number:
87988-95-2
Molecular Formula:
C4H4N4O
Molecular Weight:
124.1008
IUPAC Name:
4-azido-5-methyl-1,2-oxazole
InChI:
InChI=1S/C4H4N4O/c1-3-4(7-8-5)2-6-9-3/h2H,1H3
InChI Key:
RCNPULYKKSDYMF-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cnoc1C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.039g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.103g/mol
Monoisotopic Mass:
124.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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