CAS
1186398-35-5 Purity
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1186398-35-5 Purity
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4-Formyl-3-isopropylphenylboronic acid
CAS
1451390-85-4
Catalog Number
ACM1451390854
Category
Boronic Acids
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What is the molecular formula of 4-Formyl-3-isopropylphenylboronic acid?
The molecular formula is C10H13BO3.
What is the molecular weight of 4-Formyl-3-isopropylphenylboronic acid?
The molecular weight is 192.02 g/mol.
What is the IUPAC name of 4-Formyl-3-isopropylphenylboronic acid?
The IUPAC name is (4-formyl-3-propan-2-ylphenyl)boronic acid.
What is the InChI of 4-Formyl-3-isopropylphenylboronic acid?
The InChI is InChI=1S/C10H13BO3/c1-7(2)10-5-9(11(13)14)4-3-8(10)6-12/h3-7,13-14H,1-2H3.
What is the InChIKey of 4-Formyl-3-isopropylphenylboronic acid?
The InChIKey is JQKAUDYGGHSKEX-UHFFFAOYSA-N.
What is the canonical SMILES of 4-Formyl-3-isopropylphenylboronic acid?
The canonical SMILES is B(C1=CC(=C(C=C1)C=O)C(C)C)(O)O.
How many hydrogen bond donor count does 4-Formyl-3-isopropylphenylboronic acid have?
It has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor count does 4-Formyl-3-isopropylphenylboronic acid have?
It has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does 4-Formyl-3-isopropylphenylboronic acid have?
It has 3 rotatable bond counts.
What is the topological polar surface area of 4-Formyl-3-isopropylphenylboronic acid?
The topological polar surface area is 57.5 Ų.
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