| CAS Number | 1565827-87-3 |
| Catalog Number | AG00ITWT(AGN-PC-0WB2QL) |
| Chemical Name | 7-(2-Hydroxyethyl)-2,3-dihydro-1,3-benzoxazol-2-one |
| IUPAC Name | 7-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one |
| InChI | InChI=1S/C9H9NO3/c11-5-4-6-2-1-3-7-8(6)13-9(12)10-7/h1-3,11H,4-5H2,(H,10,12) |
| InChI Key | BSPDFQNBUWGQRE-UHFFFAOYSA-N |
| MDL Number | MFCD26936355 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | O=C1(OC2(=C(C=CC=C2(N1))CCO)) |
| Synonyms | 7-(2-hydroxyethyl)-2,3-dihydro-1,3-benzoxazol-2-one,
1565827-87-3,
KS-00002BBF,
ZINC95921728,
AKOS026675658,
FCH2485653,
SS-4682,
OR310375,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.175g/mol |
| Monoisotopic Mass | 179.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number