| CAS Number | 1899039-20-3 |
| Catalog Number | AG01EH8L |
| Chemical Name | 4'-Hydroxyazobenzene-4-carboxylic acid hydrate |
| IUPAC Name | 4-[(4-hydroxyphenyl)diazenyl]benzoic acid;hydrate |
| InChI | InChI=1S/C13H10N2O3.H2O/c16-12-7-5-11(6-8-12)15-14-10-3-1-9(2-4-10)13(17)18;/h1-8,16H,(H,17,18);1H2 |
| InChI Key | FQUHDGIIJXMVAX-UHFFFAOYSA-N |
| MDL Number | MFCD27977192 |
| Molecular Formula | C13H12N2O4 |
| Molecular Weight | 260.2454 |
| SMILES | O=C(O)C1=CC=C(N=NC2=CC=C(O)C=C2)C=C1.[H]O[H] |
| Synonyms | 4'-Hydroxyazobenzene-4-carboxylic Acid Hydrate,
1899039-20-3,
2497-38-3,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.249g/mol |
| Monoisotopic Mass | 260.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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