| CAS Number | 91994-11-5 |
| Catalog Number | AG00IGZ2(AGN-PC-00M665) |
| Chemical Name | 1,3,2-Dioxaborinane, 5,5-dimethyl-2-(2-methylphenyl)- |
| IUPAC Name | 5,5-dimethyl-2-(2-methylphenyl)-1,3,2-dioxaborinane |
| InChI | InChI=1S/C12H17BO2/c1-10-6-4-5-7-11(10)13-14-8-12(2,3)9-15-13/h4-7H,8-9H2,1-3H3 |
| InChI Key | ZZYGMAWEGWFCCK-UHFFFAOYSA-N |
| MDL Number | MFCD27965639 |
| Molecular Formula | C12H17BO2 |
| Molecular Weight | 204.0732 |
| SMILES | CC1=CC=CC=C1B2OCC(C)(C)CO2 |
| Synonyms | 91994-11-5,
5,5-dimethyl-2-(2-methylphenyl)-1,3,2-dioxaborinane,
5,5-Dimethyl-2-(o-tolyl)-1,3,2-dioxaborinane,
2-(2-methylphenyl)-5,5-dimethyl-1,3,2-dioxaborinane,
AMTB1001,
SCHEMBL12370783,
MFCD27965639,
AKOS025403950,
ZINC169807401,
AS-3026,
KS-000022M2,
C12H17BO2,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.076g/mol |
| Monoisotopic Mass | 204.132g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number