2-(aminooxy)acetic acid hydrochloride

• ChemBase ID: 180479
• Molecular Formular: C2H6ClNO3
• Molecular Mass: 127.52694
• Monoisotopic Mass: 127.00362074
• SMILES: C(=O)(CON)O.Cl
• Canonical SMILES: NOCC(=O)O.Cl
• InChI: InChI=1S/C2H5NO3.ClH/c3-6-1-2(4)5;/h1,3H2,(H,4,5);1H
• InChIKey: IXMIEQPWCAPGKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminooxy)acetic acid hydrochloride
• IUPAC Traditional name: (aminooxy)acetic acid hydrochloride
• Synonyms: Carboxymethoxylamine hemihydrochloride; Acetic acid, 2-(aminooxy)-, hydrochloride (1:1)

Database IDs

• CAS Number: 2921-14-4; 20295-82-3
• PubChem SID: 164236389
• PubChem CID: 10129958

CALCULATED PROPERTIES

• Acid pKa: 3.1585097
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0627282
• LogD (pH = 7.4): -4.300726
• Log P: -2.2156832
• Molar Refractivity: 18.4156 cm^3
• Polarizability: 7.3367243 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true