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Molecule
Arsenic Acid
CAS: 7778-39-4 · H3AsO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7778-39-4
- Molecular Formula
- H3AsO4
- Molecular Mass
- 141.94 g/mol
Identifiers
CAS Registry Number
7778-39-4
SMILES
O=[As](O)(O)O
InChI Key
DJHGAFSJWGLOIV-UHFFFAOYSA-N
InChI
InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)
Names and Synonyms
- Arsenic Acid Common Name
- Arsenic acid (H3AsO4) Synonym
- Orthoarsenic acid Synonym
- Arsenic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.94 g/mol | CAS Common Chemistry |
| 141.94199999999998 g/mol | RDKit | |
| 141.942 g/mol | RDKit | |
| Density | 2.20 g/cm³ | CAS Common Chemistry |
| 2.2 g/cm3 (approx) | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Arsenic_acid | CAS Common Chemistry |
| Canonical SMILES | O=[As](O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=DJHGAFSJWGLOIV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35 °C | CAS Common Chemistry |
| Name | Arsenic acid (H3AsO4) | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -2.1706000000000003 | RDKit |
| -2.1706 | RDKit | |
| Molar Refractivity | 13.096899999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 141.924730076 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 141.94 g/mol; density = 2.200 g/mL. Edit any field — others recompute live.
