| CAS Number | 1258238-86-6 |
| Catalog Number | AG00HII6(AGN-PC-0WQWIN) |
| Chemical Name | (3aS,4S,6S,7aR)-2-(4-Methoxyphenyl)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole |
| IUPAC Name | (1S,2S,6R,8S)-4-(4-methoxyphenyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane |
| InChI | InChI=1S/C17H23BO3/c1-16(2)11-9-14(16)17(3)15(10-11)20-18(21-17)12-5-7-13(19-4)8-6-12/h5-8,11,14-15H,9-10H2,1-4H3/t11-,14-,15+,17-/m0/s1 |
| InChI Key | CJEDQOKLVJUDJG-RMIITELYSA-N |
| MDL Number | MFCD28052744 |
| Molecular Formula | C17H23BO3 |
| Molecular Weight | 286.1737 |
| SMILES | O3(C1(C(CC2(C(C1C2)(C)C))OB3C4(=CC=C(OC)C=C4))(C)) |
| Synonyms | 1258238-86-6,
(3aS,4S,6S,7aR)-2-(4-Methoxyphenyl)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole,
MFCD28052744,
(1R,2R,6S,8R)-4-(4-Methoxyphenyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0,6]decane,
|
| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.178g/mol |
| Monoisotopic Mass | 286.174g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number