| CAS Number | 852538-97-7 |
| Catalog Number | AG019K3E |
| Chemical Name | methyl 3-(2-oxo-2H-1,4-benzoxazin-3-yl)propanoate |
| IUPAC Name | methyl 3-(2-oxo-1,4-benzoxazin-3-yl)propanoate |
| InChI | InChI=1S/C12H11NO4/c1-16-11(14)7-6-9-12(15)17-10-5-3-2-4-8(10)13-9/h2-5H,6-7H2,1H3 |
| InChI Key | OJXRRMSWAHHCHC-UHFFFAOYSA-N |
| MDL Number | MFCD06251781 |
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.2200 |
| SMILES | COC(CCC1C(=O)OC2=C(C=CC=C2)N=1)=O |
| Synonyms | methyl 3-(2-oxo-2H-1,4-benzoxazin-3-yl)propanoate,
852538-97-7,
AC1Q442I,
CTK6J2251,
ZINC8324070,
AKOS001286946,
MCULE-8456615172,
NE30713,
ST51035786,
EN300-25379,
J3.556.025D,
methyl 3-(2-oxobenzo[e]1,4-oxazin-3-yl)propanoate,
methyl 3-(2-oxo-2h-1,4-benzoxazin-3-yl) propanoate,
Z207157146,
3-(2-Oxo-2H-1,4-benzooxazine-3-yl)propanoic acid methyl ester,
ZINC08324070,
CID9449826,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.223g/mol |
| Monoisotopic Mass | 233.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number