CAS
603122-81-2 Purity
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603122-81-2 Purity
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2,3-Dimethyl-4-formylphenylboronic acid
CAS
643093-74-7
Catalog Number
ACM643093747
Category
Boronic Acids
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What is the molecular formula of 2,3-Dimethyl-4-formylphenylboronic acid?
The molecular formula is C9H11BO3.
What is the molecular weight of 2,3-Dimethyl-4-formylphenylboronic acid?
The molecular weight is 177.99 g/mol.
What is the IUPAC name of 2,3-Dimethyl-4-formylphenylboronic acid?
The IUPAC name is (4-formyl-2,3-dimethylphenyl)boronic acid.
What is the InChI of 2,3-Dimethyl-4-formylphenylboronic acid?
The InChI is InChI=1S/C9H11BO3/c1-6-7(2)9(10(12)13)4-3-8(6)5-11/h3-5,12-13H,1-2H3.
What is the InChIKey of 2,3-Dimethyl-4-formylphenylboronic acid?
The InChIKey is VWKSRDYVNJKHOI-UHFFFAOYSA-N.
What is the canonical SMILES of 2,3-Dimethyl-4-formylphenylboronic acid?
The canonical SMILES is B(C1=C(C(=C(C=C1)C=O)C)C)(O)O.
What is the hydrogen bond donor count of 2,3-Dimethyl-4-formylphenylboronic acid?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of 2,3-Dimethyl-4-formylphenylboronic acid?
The hydrogen bond acceptor count is 3.
What is the topological polar surface area of 2,3-Dimethyl-4-formylphenylboronic acid?
The topological polar surface area is 57.5 Ų.
Is 2,3-Dimethyl-4-formylphenylboronic acid canonicalized?
Yes, it is canonicalized.
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