4-Formyl-3-methoxyphenylboronic acid pinacol ester - CAS 956431-01-9
Catalog: |
BB064560 |
Product Name: |
4-Formyl-3-methoxyphenylboronic acid pinacol ester |
CAS: |
956431-01-9 |
Synonyms: |
2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde; 4-Formyl-3-methoxyphenylboronic acid pinacol ester |
IUPAC Name: | 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
Description: | 4-Formyl-3-methoxyphenylboronic acid pinacol ester |
Molecular Weight: | 280.12 |
Molecular Formula: | C14H21BO5 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C=O)OC |
InChI: | InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-7-6-10(9-16)12(8-11)17-5/h6-9H,1-5H3 |
InChI Key: | LWMIBTMNBYRUHU-UHFFFAOYSA-N |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.1376392 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.1376392 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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