3-(Propoxycarbonyl)phenylboronic acid

• Catalog Number: ACM850568784
• Product Name: 3-(Propoxycarbonyl)phenylboronic acid
• CAS: 850568-78-4
• Category: Boronic Acids
• Synonyms: 850568-78-4, 3-propoxycarbonylphenylboronic acid, 3-(Propoxycarbonyl)phenylboronic acid, Propyl 3-boronobenzoate, 3-(Propoxycarbonyl)benzeneboronic acid, KSC447O4H, CTK3E7743, MolPort-000-931-719, (3-propoxycarbonylphenyl)boronic acid, ANW-48414, OR3965, AKOS004113801, (3-Propoxycarbonyl)phenylboronic acid,, AB26472, AG-H-41314, AK-45884, BR-45884, N199, [3-[oxo(propoxy)methyl]phenyl]boronic acid, 3-(Propoxycarbonyl)Benzeneboronic Acid 97%
• IUPAC Name: (3-propoxycarbonylphenyl)boronic acid
• Molecular Weight: 208.02
• Molecular Formula: C₁₀H₁₃BO₄
• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)OCCC)(O)O
• InChI Key: BSCFVVVAJINDLA-UHFFFAOYSA-N
• Boiling Point: 378.283ºC at 760 mmHg
• Melting Point: 104-108ºC
• Flash Point: 182.579ºC
• Density: 1.182g/cm³
• Exact Mass: 208.09100
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 3-(Propoxycarbonyl)phenylboronic acid?

The molecular formula of 3-(Propoxycarbonyl)phenylboronic acid is C10H13BO4.

What is the molecular weight of 3-(Propoxycarbonyl)phenylboronic acid?

The molecular weight of 3-(Propoxycarbonyl)phenylboronic acid is 208.02 g/mol.

What is the IUPAC name of 3-(Propoxycarbonyl)phenylboronic acid?

The IUPAC name of 3-(Propoxycarbonyl)phenylboronic acid is (3-propoxycarbonylphenyl)boronic acid.

What is the InChI key of 3-(Propoxycarbonyl)phenylboronic acid?

The InChI key of 3-(Propoxycarbonyl)phenylboronic acid is BSCFVVVAJINDLA-UHFFFAOYSA-N.

What is the canonical SMILES representation of 3-(Propoxycarbonyl)phenylboronic acid?

The canonical SMILES representation of 3-(Propoxycarbonyl)phenylboronic acid is B(C1=CC(=CC=C1)C(=O)OCCC)(O)O.

What is the CAS number of 3-(Propoxycarbonyl)phenylboronic acid?

The CAS number of 3-(Propoxycarbonyl)phenylboronic acid is 850568-78-4.

What is the hydrogen bond donor count of 3-(Propoxycarbonyl)phenylboronic acid?

The hydrogen bond donor count of 3-(Propoxycarbonyl)phenylboronic acid is 2.

What is the hydrogen bond acceptor count of 3-(Propoxycarbonyl)phenylboronic acid?

The hydrogen bond acceptor count of 3-(Propoxycarbonyl)phenylboronic acid is 4.

What is the rotatable bond count of 3-(Propoxycarbonyl)phenylboronic acid?

The rotatable bond count of 3-(Propoxycarbonyl)phenylboronic acid is 5.

Is 3-(Propoxycarbonyl)phenylboronic acid a canonicalized compound?

Yes, 3-(Propoxycarbonyl)phenylboronic acid is a canonicalized compound.