| CAS Number | 1640035-73-9 |
| Catalog Number | AG00HZ2O |
| Chemical Name | 4-(1,3,2-Dioxaborinan-2-yl)phenol |
| IUPAC Name | 4-(1,3,2-dioxaborinan-2-yl)phenol |
| InChI | InChI=1S/C9H11BO3/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,11H,1,6-7H2 |
| InChI Key | YLDVLLNEXMTXBY-UHFFFAOYSA-N |
| MDL Number | MFCD21609692 |
| Molecular Formula | C9H11BO3 |
| Molecular Weight | 177.9928 |
| SMILES | OC1=CC=C(B2OCCCO2)C=C1 |
| Synonyms | 4-(1,3,2-Dioxaborinan-2-yl)phenol,
1640035-73-9,
MFCD21609692,
ZINC169965104,
Y2608,
B-9152,
4-[(Dihydro-4H-1,3,2-dioxaborin)-2-yl]phenol,
C9H11BO3,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.994g/mol |
| Monoisotopic Mass | 178.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number