| CAS Number | 923189-35-9 |
| Catalog Number | AG00GUGC |
| Chemical Name | 4-(Benzo[d]oxazol-2-yl)-5-methylfuran-2(3H)-one |
| IUPAC Name | 4-(1,3-benzoxazol-2-yl)-5-methyl-3H-furan-2-one |
| InChI | InChI=1S/C12H9NO3/c1-7-8(6-11(14)15-7)12-13-9-4-2-3-5-10(9)16-12/h2-5H,6H2,1H3 |
| InChI Key | QTDPBMLBWOODIE-UHFFFAOYSA-N |
| MDL Number | MFCD08444362 |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| SMILES | O=C1OC(C)=C(C2=NC3=CC=CC=C3O2)C1 |
| Synonyms | 4-(1,3-benzoxazol-2-yl)-5-methylfuran-2(3H)-one,
923189-35-9,
4-(1,3-benzoxazol-2-yl)-5-methyl-2,3-dihydrofuran-2-one,
4-(Benzo[d]oxazol-2-yl)-5-methylfuran-2(3H)-one,
AC1Q2EYZ,
CTK7H6745,
ZINC9664703,
AKOS027427185,
MCULE-7966838323,
NE13860,
EN300-25417,
J-513195,
Z210803642,
4-(1,3-benzoxazol-2-yl)-5-methyl-3H-furan-2-one,
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloroacetamide hydrochloride,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.208g/mol |
| Monoisotopic Mass | 215.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number