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183537-54-4 | 1,2,5-Oxadiazole-3-methanol, 4-amino-α-methyl-, 2-oxide
CAS No: 183537-54-4 Catalog No: AG0027NC MDL No:MFCD18804651
Product Description
Catalog Number:
AG0027NC
Chemical Name:
1,2,5-Oxadiazole-3-methanol, 4-amino-α-methyl-, 2-oxide
CAS Number:
183537-54-4
Molecular Formula:
C4H7N3O3
Molecular Weight:
145.1167
MDL Number:
MFCD18804651
IUPAC Name:
1-(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)ethanol
InChI:
InChI=1S/C4H7N3O3/c1-2(8)3-4(5)6-10-7(3)9/h2,8H,1H3,(H2,5,6)
InChI Key:
GZZWPBGIDCDRDH-UHFFFAOYSA-N
SMILES:
[O-][n+]1onc(c1C(O)C)N
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.118g/mol
Monoisotopic Mass:
145.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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