| CAS Number | 138169-57-0 |
| Catalog Number | AG001841(AGN-PC-082N2L) |
| Chemical Name | 4-Hydroxybenzamide hydrate |
| IUPAC Name | 4-hydroxybenzamide;hydrate |
| InChI | InChI=1S/C7H7NO2.H2O/c8-7(10)5-1-3-6(9)4-2-5;/h1-4,9H,(H2,8,10);1H2 |
| InChI Key | AHXBTSPVUITUAH-UHFFFAOYSA-N |
| MDL Number | MFCD14705667 |
| Molecular Formula | C7H9NO3 |
| Molecular Weight | 155.1513 |
| SMILES | O.NC(C1=CC=C(O)C=C1)=O |
| Synonyms | 4-hydroxybenzamide hydrate,
138169-57-0,
Benzamide, 4-hydroxy-, monohydrate,
ACMC-20mx8r,
AC1Q59B2,
CTK0F3203,
DTXSID20677617,
4-Hydroxybenzamide--water (1/1),
NE39391,
Benzamide, 4-hydroxy-, hydrate (1:1),
EN300-57153,
4-hydroxybenzamide,hydrate,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.153g/mol |
| Monoisotopic Mass | 155.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number