Cas no 62591-78-0 (ammonium [hydroxy(methoxy)phosphoryl]acetate)

ammonium [hydroxy(methoxy)phosphoryl]acetate structure
62591-78-0 structure
Product Name:ammonium [hydroxy(methoxy)phosphoryl]acetate
CAS No:62591-78-0
MF:C3H10NO5P
MW:171.088962078094
CID:1638644
PubChem ID:151966
Update Time:2025-04-21

ammonium [hydroxy(methoxy)phosphoryl]acetate Chemical and Physical Properties

Names and Identifiers

    • ammonium [hydroxy(methoxy)phosphoryl]acetate
    • azanium,2-[hydroxy(methoxy)phosphoryl]acetate
    • 62591-78-0
    • DTXSID60211635
    • (Hydroxymethoxyphosphinyl)acetic acid monoammonium salt
    • Acetic acid, (hydroxymethoxyphosphinyl)-, monoammonium salt
    • Inchi: 1S/C3H7O5P.H3N/c1-8-9(6,7)2-3(4)5;/h2H2,1H3,(H,4,5)(H,6,7);1H3
    • InChI Key: HNZMTQMXNRXHCM-UHFFFAOYSA-N
    • SMILES: P(CC(=O)[O-])(=O)(O)OC.[NH4+]

Computed Properties

  • Exact Mass: 171.0297
  • Monoisotopic Mass: 171.029659
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 147
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 87.7

Experimental Properties

  • Boiling Point: 334°C at 760 mmHg
  • Flash Point: 155.8°C
  • PSA: 123.16
  • LogP: 0.22670
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