2-(4-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione - CAS 1312788-59-2
Catalog: |
BB007286 |
Product Name: |
2-(4-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
CAS: |
1312788-59-2 |
Synonyms: |
2-(4-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; 2-(4-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
IUPAC Name: | 2-(4-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
Description: | 2-(4-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione (CAS# 1312788-59-2) is a useful research chemical. |
Molecular Weight: | 249.03 |
Molecular Formula: | C11H12NO5B |
Canonical SMILES: | B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)O |
InChI: | InChI=1S/C11H12BNO5/c1-13-6-10(15)17-12(18-11(16)7-13)8-2-4-9(14)5-3-8/h2-5,14H,6-7H2,1H3 |
InChI Key: | FNBNWODTQKVXTN-UHFFFAOYSA-N |
LogP: | -0.94290 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.0808526 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.0808526 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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