2-(4,4-Dimethyl-[1,3,2]dioxaboronan-2-yl)-benzoic acid ethyl ester

HCID 68458705
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Basic information

Standard SMILES
CCOC(=O)c1ccccc1B1OCCCCCC(C)(C)O1
InChIKey
SWQQVRCYHXTINJ-UHFFFAOYSA-N
Molecular formula
C17H25BO4
Average molar mass
304.2 g/mol

Names & identifiers

Preferred name
2-(4,4-Dimethyl-[1,3,2]dioxaboronan-2-yl)-benzoic acid ethyl ester
IUPAC
ethyl 2-(4,4-dimethyl-1,3,2-dioxaboronan-2-yl)benzoate

Names & synonyms

SCHEMBL2962729SWQQVRCYHXTINJ-UHFFFAOYSA-N2-(4,4-Dimethyl-[1,3,2]dioxaboronan-2-yl)-benzoic acid ethyl ester

Database identifiers

PubChem CID
68458705

Properties

Computed structural properties

Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
22

Related reactions

2 records
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Compound notes

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