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Hydroxyphosphonoacetic Acid
CAS: 23783-26-8 | C2H5O6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23783-26-8
Molecular Formula:
C2H5O6P
Molecular Mass:
156.03 g/mol
Names and Synonyms:
Hydroxyphosphonoacetic Acid
Acetic acid, 2-hydroxy-2-phosphono-
Glycolic acid, phosphono-
Acetic acid, hydroxyphosphono-
2-Hydroxy-2-phosphonoacetic acid
2-Hydroxyphosphonoacetic acid
α-Hydroxyphosphonoacetic acid
Phosphonoglycolic acid
Hydroxyphosphonoacetic acid
Belcor 575
Phosphonohydroxyacetic acid
2-Hydroxyphosphonocarboxylic acid
HPPA (scale inhibitor)
Identifiers:
SMILES:
O=C(O)C(O)P(=O)(O)O
InChI:
InChI=1S/C2H5O6P/c3-1(4)2(5)9(6,7)8/h2,5H,(H,3,4)(H2,6,7,8)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.03 g/mol | CAS Common Chemistry |
| 156.03000000000003 g/mol | RDKit | |
| 155.98237451 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)P(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C2H5O6P/c3-1(4)2(5)9(6,7)8/h2,5H,(H,3,4)(H2,6,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=UTCHNZLBVKHYKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hydroxyphosphonoacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 115.06 Ų | RDKit |
| LogP | -1.4329 | RDKit |
| Molar Refractivity | 25.68669999999999 | RDKit |
