| CAS Number | 387334-31-8 |
| Catalog Number | AG01EP58(AGN-PC-0RH7DZ) |
| Chemical Name | 3,4-dihydro-2-methyl-1,1-dimethylethylester-2H-pyrrole-2-carboxylicacid-1-oxide |
| IUPAC Name | tert-butyl 2-methyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylate |
| InChI | InChI=1S/C10H17NO3/c1-9(2,3)14-8(12)10(4)6-5-7-11(10)13/h7H,5-6H2,1-4H3 |
| InChI Key | MDMUYJRRYYXDLZ-UHFFFAOYSA-N |
| MDL Number | MFCD32196548 |
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.2469 |
| SMILES | [O-][N+]1=CCCC1(C(OC(C)(C)C)=O)C |
| Synonyms | BMPO,
SCHEMBL829763,
5-t-butoxycarbonyl-5-methyl-1-pyrroline N-oxide,
3,4-dihydro-2-methyl-1,1-dimethylethylester-2H-pyrrole-2-carboxylicacid-1-oxide,
387334-31-8,
CID11241066,
Tert-butyl 5-methyl-1-oxido-3,4-dihydropyrrole-5-carboxylate,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.25g/mol |
| Monoisotopic Mass | 199.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number