Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt structure

Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phosphonic acid

Also Known As: tert-butyl phosphonoacetate|tert-butoxycarbonylmethylphosphonic acid|(2-tert-Butoxy-2-oxoethyl)phosphonic acid|1-(1,1-Dimethylethyl) phosphonoacetate diammonium salt|(2-tert-butoxy-2-oxo-ethyl)phosphonic acid|Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt|Acetic acid, phosphono-, 1,1-dimethylethyl ester|[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phosphonic acid|Acetic acid,phosphono-,1-(1,1-dimethylethyl) ester,diammonium salt

CAS: 62591-77-9
Molecular Formula C6H13O5P
Molecular Weight 196.05006 g/mol
LogP -0.7
Topological Polar Surface Area 83.8 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 196.05006
Monoisotopic Mass 196.05006
Heavy Atoms 12
Complexity 210.0

Chemical Identifiers

CAS Number 62591-77-9
SMILES CC(C)(C)OC(=O)CP(=O)(O)O
InChIKey KKAWRARRTNILEQ-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (12 patents) Organic Building Blocks (2 patents) Peptides & Amino Acids (1 patents) Pharmaceutical Intermediates (8 patents)

Product Overview

Acetic acid, phosphono-, 1-(1,1-dimethylethyl) ester, diammonium salt (CAS 62591-77-9), with molecular formula C6H13O5P and molecular weight 196.05006 g/mol. IUPAC: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phosphonic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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