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19951-51-0 | 1,2,3-Oxadiazolium, 5-amino-3-(3-carboxypropyl)-, chloride (1:1)
CAS No: 19951-51-0 Catalog No: AG002C5R MDL No:
Product Description
Catalog Number:
AG002C5R
Chemical Name:
1,2,3-Oxadiazolium, 5-amino-3-(3-carboxypropyl)-, chloride (1:1)
CAS Number:
19951-51-0
Molecular Formula:
C6H12ClN3O3
Molecular Weight:
209.6308
IUPAC Name:
4-(5-aminooxadiazol-3-ium-3-yl)butanoic acid;chloride
InChI:
InChI=1S/C6H9N3O3.ClH/c7-5-4-9(8-12-5)3-1-2-6(10)11;/h4H,1-3H2,(H2-,7,8,10,11);1H
InChI Key:
NNENUHGUFMNODS-UHFFFAOYSA-N
SMILES:
NC1=CN([NH2+]O1)CCCC(=O)O.[Cl-]
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.614g/mol
Monoisotopic Mass:
207.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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