| CAS Number | 1437052-32-8 |
| Catalog Number | AG01B6ED |
| Chemical Name | 6-Methyl-1H-spiro[2,1-benzoxaborole-3,1'-cyclopentane]-1-ol |
| IUPAC Name | 1-hydroxy-6-methylspiro[2,1-benzoxaborole-3,1'-cyclopentane] |
| InChI | InChI=1S/C12H15BO2/c1-9-4-5-10-11(8-9)13(14)15-12(10)6-2-3-7-12/h4-5,8,14H,2-3,6-7H2,1H3 |
| InChI Key | MMTAZHNMTZHOSA-UHFFFAOYSA-N |
| MDL Number | MFCD28166747 |
| Molecular Formula | C12H15BO2 |
| Molecular Weight | 202.0573 |
| SMILES | CC1=CC2B(OC3(CCCC3)C=2C=C1)O |
| Synonyms | 6-methyl-1H-spiro[2,1-benzoxaborole-3,1'-cyclopentane]-1-ol,
1437052-32-8,
SCHEMBL14958327,
MMTAZHNMTZHOSA-UHFFFAOYSA-N,
ZINC220056906,
6-methyl-1H-spiro[benzo[c][1,2]oxaborole-3,1'-cyclopentan]-1-ol,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.06g/mol |
| Monoisotopic Mass | 202.117g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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