| CAS Number | 1089327-13-8 |
| Catalog Number | AG01EH5R |
| Chemical Name | 2-BEnzoxazolinone hydrate |
| IUPAC Name | 3H-1,3-benzoxazol-2-one;hydrate |
| InChI | InChI=1S/C7H5NO2.H2O/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);1H2 |
| InChI Key | YOJMLQFFPIKVPF-UHFFFAOYSA-N |
| MDL Number | MFCD31726446 |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.1354 |
| SMILES | O=c1oc2c([nH]1)cccc2.O |
| Synonyms | 2-BEnzoxazolinone hydrate,
1089327-13-8,
SCHEMBL10640397,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.137g/mol |
| Monoisotopic Mass | 153.043g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 39.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number