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115533-58-9 | 1,2,3-Oxadiazolium, 4,5-dihydro-5-hydroxy-3-methyl-, (R)- (9CI)
CAS No: 115533-58-9 Catalog No: AG000G4Q MDL No:
Product Description
Catalog Number:
AG000G4Q
Chemical Name:
1,2,3-Oxadiazolium, 4,5-dihydro-5-hydroxy-3-methyl-, (R)- (9CI)
CAS Number:
115533-58-9
Molecular Formula:
C3H9N2O2+
Molecular Weight:
105.1158
IUPAC Name:
3-methyloxadiazolidin-2-ium-5-ol
InChI:
InChI=1S/C3H8N2O2/c1-5-2-3(6)7-4-5/h3-4,6H,2H2,1H3/p+1
InChI Key:
VOGWALUXCKJETP-UHFFFAOYSA-O
SMILES:
CN1C[C@@H](O[NH2+]1)O
Properties
Complexity:
68
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.066g/mol
Formal Charge:
1
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
105.117g/mol
Monoisotopic Mass:
105.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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