| CAS Number | 139123-66-3 |
| Catalog Number | AG001ACF(AGN-PC-07A5GT) |
| Chemical Name | 6-Amino-1-naphthol-3-sulfonic acid hydrate |
| IUPAC Name | 7-amino-4-hydroxynaphthalene-2-sulfonic acid;hydrate |
| InChI | InChI=1S/C10H9NO4S.H2O/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);1H2 |
| InChI Key | ACNSFTVESQFFAE-UHFFFAOYSA-N |
| MDL Number | MFCD00149251 |
| Molecular Formula | C10H11NO5S |
| Molecular Weight | 257.2630 |
| SMILES | Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O.O |
| Synonyms | 6-AMino-1-naphthol-3-sulfonic Acid Hydrate,
139123-66-3,
7-Amino-4-hydroxy-2-naphthalenesulfonic acid monohydrate,
6-amino-3-sulfo-1-naphthol monohydrate,
ACMC-20977u,
SCHEMBL4869253,
DTXSID30662312,
ACNSFTVESQFFAE-UHFFFAOYSA-N,
5849AF,
ANW-13624,
MFCD00149251,
BP-30155,
OR323286,
TC-102368,
7-Amino-4-hydroxynaphthalene-2-sulfonic acid--water (1/1),
2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-, hydrate (1:1),
C10H9NSO4.H2O,
87-02-5,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.26g/mol |
| Monoisotopic Mass | 257.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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