| CAS Number | 1445951-11-0 |
| Catalog Number | AG019ESC(AGN-PC-0WG4TD) |
| Chemical Name | tert-Butyl ((2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate |
| IUPAC Name | tert-butyl N-(1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-ylmethyl)carbamate |
| InChI | InChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)13-7-9-10-8(4-5-17-9)6-14-15-10/h6,9H,4-5,7H2,1-3H3,(H,13,16)(H,14,15) |
| InChI Key | HTHDVFNTCBLQIE-UHFFFAOYSA-N |
| MDL Number | MFCD25509366 |
| Molecular Formula | C12H19N3O3 |
| Molecular Weight | 253.2976 |
| SMILES | CC(C)(C)OC(=O)NCC1OCCc2c[nH]nc12 |
| Synonyms | 1445951-11-0,
tert-Butyl ((2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate,
MFCD25509366,
CS-0038723,
t-Butyl ((2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate,
Tert-Butyl ((2,4,5,7-Tetrahydropyrano[3,4-C]Pyrazol-7-Yl)Methyl)Carbamate(WX141636),
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.302g/mol |
| Monoisotopic Mass | 253.143g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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