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Molecule
Peri Acid
CAS: 82-75-7 · C10H9NO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 82-75-7
- Molecular Formula
- C10H9NO3S
- Molecular Mass
- 223.25 g/mol
Identifiers
CAS Registry Number
82-75-7
SMILES
Nc1cccc2cccc(S(=O)(=O)O)c12
InChI Key
CYJJLCDCWVZEDZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
Names and Synonyms
- Peri Acid Synonym
- 1-Naphthalenesulfonic acid, 8-amino- Synonym
- 8-Amino-1-naphthalenesulfonic acid Synonym
- 1-Aminonaphthalene-8-sulfonic acid Synonym
- Naphthylaminemonosulfonic acid S Synonym
- α-Naphthylamine-8-sulfonic acid Synonym
- 1-Naphthylamine-8-sulfonic acid Synonym
- Schollkopf's acid Synonym
- Peri acid Synonym
- 1-Amino-8-naphthylsulfonic acid Synonym
- NSC 7798 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.25 g/mol | CAS Common Chemistry |
| 223.253 g/mol | RDKit | |
| 223.246 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(O)C1=CC=CC=2C=CC=C(N)C21 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,11H2,(H,12,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=CYJJLCDCWVZEDZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Peri acid | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 80.39 Ų | RDKit |
| LogP | 1.6687 | RDKit |
| Molar Refractivity | 58.17500000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 223.030314148 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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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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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 = 223.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H9NO3S.
