| CAS Number | 1273576-64-9 |
| Catalog Number | AG00HRP1(AGN-PC-0WG4FC) |
| Chemical Name | 2-(tert-Butoxycarbonyl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-7-carboxylic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-7-carboxylic acid |
| InChI | InChI=1S/C11H16N2O5/c1-10(2,3)17-9(16)13-5-11(6-13)4-7(8(14)15)12-18-11/h4-6H2,1-3H3,(H,14,15) |
| InChI Key | HSBSFXGYYQDTBF-UHFFFAOYSA-N |
| MDL Number | MFCD18793359 |
| Molecular Formula | C11H16N2O5 |
| Molecular Weight | 256.2551 |
| SMILES | CC(OC(N1CC2(ON=C(C(O)=O)C2)C1)=O)(C)C |
| Synonyms | 1273576-64-9,
2-(tert-Butoxycarbonyl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-7-carboxylic acid,
5-Oxa-2,6-Diaza-Spiro[3.4]Oct-6-Ene-2,7-Dicarboxylic Acid 2-Tert-Butyl Ester,
MFCD18793359,
AKOS027255217,
ZINC307738428,
CS-0036393,
Z2738925404,
2-[(tert-butoxy)carbonyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-7-carboxylic acid,
5-Oxa-2,6-diaza-spiro[3.4]oct-6-ene-2,7-dicarboxylic acid 2-t-butyl ester,
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| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.258g/mol |
| Monoisotopic Mass | 256.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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