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Molecule
Chromic Acid
CAS: 7738-94-5 · H2CrO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7738-94-5
- Molecular Formula
- H2CrO4
- Molecular Mass
- 118.01 g/mol
Identifiers
CAS Registry Number
7738-94-5
SMILES
[Cr+2].[OH-].[OH-].[O].[O]
InChI Key
KRVSOGSZCMJSLX-UHFFFAOYSA-L
InChI
InChI=1S/Cr.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2
Names and Synonyms
- Chromic Acid Synonym
- Chromic acid (H2CrO4) Synonym
- Chromic(VI) acid Synonym
- Chromium hydroxide oxide (Cr(OH)2O2) Synonym
- Chromium oxide hydroxide (CrO2(OH)2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.01 g/mol | CAS Common Chemistry |
| 118.00799999999998 g/mol | RDKit | |
| 118.008 g/mol | RDKit | |
| 126.072 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chromic_acid | CAS Common Chemistry |
| Canonical SMILES | O=[Cr](=O)(O)O | CAS Common Chemistry |
| Density | 1.67-2.82 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/Cr.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=KRVSOGSZCMJSLX-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 196 °C | CAS Common Chemistry |
| Name | Chromic acid (H2CrO4) | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.0 Ų | RDKit |
| LogP | -0.5936999999999999 | RDKit |
| -0.5937 | RDKit | |
| Molar Refractivity | 5.2446 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 117.93581604400002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 118.01 g/mol. Edit any field — others recompute live.
