CAS
849062-30-2 Purity
97%
849062-30-2 Purity
97%
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3-Carboxy-4-methylphenylboronic acid
CAS
1256346-18-5
Catalog Number
ACM1256346185-1
Category
Boronic Acids
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- Product Description
- Case Study
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- Synthetic Use
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What is the molecular formula of 3-Carboxy-4-methylphenylboronic acid?
The molecular formula is C8H9BO4.
What is the IUPAC name of this compound?
The IUPAC name is 5-borono-2-methylbenzoic acid.
What is the InChI of this compound?
The InChI is InChI=1S/C8H9BO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4,12-13H,1H3,(H,10,11).
What is the InChIKey of this compound?
The InChIKey is YFXACZJIMXASRO-UHFFFAOYSA-N.
What is the canonical SMILES of this compound?
The canonical SMILES is B(C1=CC(=C(C=C1)C)C(=O)O)(O)O.
What is the molecular weight of 3-Carboxy-4-methylphenylboronic acid?
The molecular weight is 179.97 g/mol.
How many hydrogen bond donor counts does this compound have?
This compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does this compound have?
This compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does this compound have?
This compound has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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