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89766-90-5 | Propanoic acid, 2-(aminooxy)-2-methyl-, trifluoroacetate
CAS No: 89766-90-5 Catalog No: AG00402V MDL No:
Product Description
Catalog Number:
AG00402V
Chemical Name:
Propanoic acid, 2-(aminooxy)-2-methyl-, trifluoroacetate
CAS Number:
89766-90-5
Molecular Formula:
C6H10F3NO5
Molecular Weight:
233.1425
IUPAC Name:
2-aminooxy-2-methylpropanoic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C4H9NO3.C2HF3O2/c1-4(2,8-5)3(6)7;3-2(4,5)1(6)7/h5H2,1-2H3,(H,6,7);(H,6,7)
InChI Key:
HPUDDPSYGUNICP-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NOC(C(=O)O)(C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.143g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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