| CAS Number | 1154942-47-8 |
| Catalog Number | AG01A85N(AGN-PC-0WO2FC) |
| Chemical Name | 6-(1-Hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one |
| IUPAC Name | 6-(1-hydroxyethyl)-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C10H11NO3/c1-6(12)7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4,6,12H,5H2,1H3,(H,11,13) |
| InChI Key | MPRYXQYGRGVBMD-UHFFFAOYSA-N |
| MDL Number | MFCD12183778 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | CC(C1=CC2=C(OCC(N2)=O)C=C1)O |
| Synonyms | 6-(1-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one,
1154942-47-8,
AC1Q2BTS,
CTK7H4468,
AKOS009541206,
NE45461,
EN300-60788,
1308647-98-4,
1308650-51-2,
6-[(1R)-1-hydroxyethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one,
6-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number