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Gamma Acid
CAS: 90-51-7 | C10H9NO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-51-7
Molecular Formula:
C10H9NO4S
Molecular Mass:
239.25 g/mol
Names and Synonyms:
Gamma Acid
2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-
1-Naphthol-3-sulfonic acid, 7-amino-
6-Amino-4-hydroxy-2-naphthalenesulfonic acid
Aminonaphthol sulfonic acid γ
6-Amino-4-naphthol-2-sulfonic acid
7-Amino-1-naphthol-3-sulfonic acid
Gamma acid
2-Amino-8-hydroxynaphthalene-6-sulfonic acid
2-Amino-8-hydroxy-6-sulfonaphthalene
7-Amino-1-hydroxy-3-naphthalenesulfonic acid
C.I. Developer 3
2-Amino-8-naphthol-6-sulfonic acid
γ-Acid
2-Amino-6-sulfo-8-naphthol
Y acid
1-Naphthol-7-amino-3-sulfonic acid
NSC 31508
NSC 8630
Identifiers:
SMILES:
Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1
InChI:
InChI=1S/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15)
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 239.25 g/mol | CAS Common Chemistry |
| 239.252 g/mol | RDKit | |
| 239.025228768 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(O)C1=CC(O)=C2C=C(N)C=CC2=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=HBZVNWNSRNTWPS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Gamma acid | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 100.62 Ų | RDKit |
| LogP | 1.3743 | RDKit |
| Molar Refractivity | 59.83980000000002 | RDKit |
