| CAS Number | 15536-71-7 |
| Catalog Number | AG001NUK(AGN-PC-0NJGRX) |
| Chemical Name | 3-Tert-butyl-7-oxabicyclo[4.1.0]heptane |
| EC Number | 605-005-7 |
| IUPAC Name | 3-tert-butyl-7-oxabicyclo[4.1.0]heptane |
| InChI | InChI=1S/C10H18O/c1-10(2,3)7-4-5-8-9(6-7)11-8/h7-9H,4-6H2,1-3H3 |
| InChI Key | BWERZOKUEPUTTM-UHFFFAOYSA-N |
| MDL Number | MFCD09732963 |
| Molecular Formula | C10H18O |
| Molecular Weight | 154.2493 |
| SMILES | CC(C1CC2C(O2)CC1)(C)C |
| Synonyms | 3-tert-butyl-7-oxabicyclo[4.1.0]heptane,
15536-71-7,
AC1Q1MGA,
SCHEMBL13410559,
4-t-butyl-1,2-epoxycyclohexane,
CTK4C8675,
DTXSID50503096,
AKOS000140697,
NE37013,
EN300-55510,
7-Oxabicyclo[4.1.0]heptane,3-(1,1-dimethylethyl)-,
7-Oxabicyclo[4.1.0]heptane, 3-(1,1-dimethylethyl)-,
3-(tert-butyl)-7-oxabicyclo[4.1.0]heptane,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.253g/mol |
| Monoisotopic Mass | 154.136g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number