| CAS Number | 1823776-29-9 |
| Catalog Number | AG019EP7(AGN-PC-0WG4TM) |
| Chemical Name | Tert-Butyl 3-(Hydroxymethyl)-4H-Furo[2,3-C]Pyrrole-5(6H)-Carboxylate |
| IUPAC Name | tert-butyl 3-(hydroxymethyl)-4,6-dihydrofuro[2,3-c]pyrrole-5-carboxylate |
| InChI | InChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-4-9-8(6-14)7-16-10(9)5-13/h7,14H,4-6H2,1-3H3 |
| InChI Key | LHDFHSJPQJAIEV-UHFFFAOYSA-N |
| MDL Number | MFCD28119019 |
| Molecular Formula | C12H17NO4 |
| Molecular Weight | 239.2677 |
| SMILES | CC(C)(C)OC(=O)N1Cc2occ(CO)c2C1 |
| Synonyms | 1823776-29-9,
tert-Butyl 3-(hydroxymethyl)-4H-furo[2,3-c]pyrrole-5(6H)-carboxylate,
MFCD28119019,
ZINC97759007,
AKOS027430131,
CS-0038209,
t-Butyl 3-(hydroxymethyl)-4H-furo[2,3-c]pyrrole-5(6H)-carboxylate,
Tert-Butyl 3-(Hydroxymethyl)-4H-Furo[2,3-C]Pyrrole-5(6H)-Carboxylate(WX141816),
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.271g/mol |
| Monoisotopic Mass | 239.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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