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2518-42-5 | 1,2,5-Oxadiazole, 3,4-dimethyl-, 5-oxide
CAS No: 2518-42-5 Catalog No: AG002QRZ MDL No:MFCD00463926
Product Description
Catalog Number:
AG002QRZ
Chemical Name:
1,2,5-Oxadiazole, 3,4-dimethyl-, 5-oxide
CAS Number:
2518-42-5
Molecular Formula:
C4H6N2O2
Molecular Weight:
114.1026
MDL Number:
MFCD00463926
IUPAC Name:
3,4-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium
InChI:
InChI=1S/C4H6N2O2/c1-3-4(2)6(7)8-5-3/h1-2H3
InChI Key:
YQPMTPLDOVSQDU-UHFFFAOYSA-N
SMILES:
[O-][n+]1onc(c1C)C
Properties
Complexity:
88.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.104g/mol
Monoisotopic Mass:
114.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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