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Molecule
Sulfuric Acid
CAS: 7664-93-9 · H2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7664-93-9
- Molecular Formula
- H2O4S
- Molecular Mass
- 98.08 g/mol
Identifiers
CAS Registry Number
7664-93-9
SMILES
O=S(=O)(O)O
InChI Key
QAOWNCQODCNURD-UHFFFAOYSA-N
InChI
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
Names and Synonyms
- Sulfuric Acid Synonym
- Sulfuric acid Synonym
- BOV Synonym
- Dipping acid Synonym
- Oil of vitriol Synonym
- Sulphuric acid Synonym
- Vitriol brown oil Synonym
- Dihydrogen sulfate Synonym
- Contact acid Synonym
- Brimstone acid Synonym
- NSC 248648 Synonym
- NSC 38965 Synonym
- Ridolene 123 Synonym
- Aftec 3000 Synonym
- Sulfuric acids Synonym
- Alkyl sulfates Synonym
- Top Lucina HV-QB Synonym
- ADWL 02 Synonym
- Top ADD 100 Synonym
- Exodo Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.08 g/mol | CAS Common Chemistry |
| 98.07899999999998 g/mol | RDKit | |
| 98.079 g/mol | RDKit | |
| 98.072 g/mol | chempirical lib | |
| Density | 1.80 g/cm³ | CAS Common Chemistry |
| 1.8 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sulfuric_acid | CAS Common Chemistry |
| Boiling Point | 290 °C (approx) | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 10.31 °C | CAS Common Chemistry |
| Name | Sulfuric acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| 74.6 Ų | RDKit | |
| LogP | -0.6527999999999998 | RDKit |
| -0.6528 | RDKit | |
| Molar Refractivity | 14.1774 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 97.96737954400001 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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Quick conversion
MW = 98.08 g/mol; density = 1.800 g/mL. Edit any field — others recompute live.
