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H Acid
CAS: 90-20-0 | C10H9NO7S2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
90-20-0
Molecular Formula:
C10H9NO7S2
Molecular Mass:
319.32 g/mol
Names and Synonyms:
H Acid
2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-
1-Naphthol-3,6-disulfonic acid, 8-amino-
4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid
C.I. 35570
1-Amino-8-hydroxy-3,6-disulfonaphthalene
1-Amino-8-hydroxynaphthalene-3,6-disulfonic acid
5-Amino-4-naphthol-2,7-disulfonic acid
8-Amino-1-naphthol-3,6-disulfonic acid
H acid
1-Amino-8-naphthyl-3,6-disulfonic acid
8-Amino-1-hydroxy-3,6-naphthalenedisulfonic acid
1-Hydroxy-8-amino-3,6-naphthalenedisulfonic acid
1-Naphthol-8-amino-3,6-disulfonic acid
3,6-Disulfo-8-hydroxy-1-naphthylamine
1-Hydroxy-8-amino-3,6-disulfonaphthalene
1-Amino-8-naphthol-3,6-disulfonic acid
5-Amino-4-hydroxy-2,7-naphthalenedisulfonic acid
3,6-Disulfo-1-amino-8-naphthol
1-Amino-3,6-disulfo-8-naphthol
Sulfonphthol
NSC 190492
1-Hydroxy-3,6-disulfo-8-aminonaphthalene
8-Hydroxy-3,6-disulfo-1-naphthylamine
1-Amino-8-hydroxynaphthalene-3,6-disulphonic acid
Identifiers:
SMILES:
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12
InChI:
InChI=1S/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
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 | 319.32 g/mol | CAS Common Chemistry |
| 319.31600000000003 g/mol | RDKit | |
| 318.982043628 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(O)C=1C=C(O)C2=C(N)C=C(C=C2C1)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=APRRQJCCBSJQOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | H acid | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 154.98999999999998 Ų | RDKit |
| LogP | 0.6209999999999998 | RDKit |
| Molar Refractivity | 69.65440000000001 | RDKit |
