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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 Weight:
118.00799999999998 g/mol
Names and Synonyms:
Chromic Acid
Chromic acid (H2CrO4)
Chromic(VI) acid
Chromium hydroxide oxide (Cr(OH)2O2)
Chromium oxide hydroxide (CrO2(OH)2)
Identifiers:
SMILES:
[Cr+2].[OH-].[OH-].[O].[O]
InChI:
InChI=1S/Cr.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 118.01 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chromic_acid None | Legacy Database |
| cas-canonical-smile | O=[Cr](=O)(O)O None | Legacy Database |
| cas-density | 1.67-2.82 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Cr.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2 None | Legacy Database |
| cas-inchi-key | InChIKey=KRVSOGSZCMJSLX-UHFFFAOYSA-L None | Legacy Database |
| cas-melting-point | 196 °C None | Legacy Database |
| cas-name | Chromic acid (H2CrO4) None | Legacy Database |
| wikipedia-name | Chromic acid None | Legacy Database |
| LogP | -0.5936999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.00799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.93581604400002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 117.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.2446 | RDKit |
