| CAS Number | 108084-47-5 |
| Catalog Number | AG008STR(AGN-PC-04RM6P) |
| Chemical Name | 4-Aminophenyl phosphate monosodium salt |
| IUPAC Name | sodium;(4-aminophenyl) hydrogen phosphate;hydrate |
| InChI | InChI=1S/C6H8NO4P.Na.H2O/c7-5-1-3-6(4-2-5)11-12(8,9)10;;/h1-4H,7H2,(H2,8,9,10);;1H2/q;+1;/p-1 |
| InChI Key | XWJZNVNMMLRLJR-UHFFFAOYSA-M |
| MDL Number | MFCD09841685 |
| Molecular Formula | C6H7NNaO4P |
| Molecular Weight | 211.0876 |
| SMILES | NC1=CC=C(C=C1)OP([O-])(O)=O.[Na+] |
| Synonyms | 4-Aminophenyl phosphate monosodium salt hydrate,
108084-47-5,
Sodium 4-aminophenyl hydrogenphosphate hydrate,
SCHEMBL15873580,
CTK8E9496,
BIA4012,
DTXSID10849568,
MFCD09841685,
AKOS030548412,
RT-009419,
Sodium 4-aminophenyl hydrogen phosphate--water (1/1/1),
sodium;(4-aminophenyl) hydrogen phosphate;hydrate,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.104g/mol |
| Monoisotopic Mass | 229.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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