4-(Heptyloxy)benzeneboronic acid

• CAS: 136370-19-9
• Catalog Number: ACM136370199
• Category: Boronic Acids
• Molecular Weight: 236.12
• Molecular Formula: C₁₃H₂₁BO₃
• Synonyms: 4-Heptyloxyphenylboronic acid, 136370-19-9, (4-heptoxyphenyl)boronic Acid, 4-(n-Heptyloxy)benzeneboronic acid, 4-(n-Heptyloxy)phenylboronic acid, SBB071263, PubChem9553, ACMC-209c5u, AC1N86YE, SureCN8705732, 4-Heptyloxyphenylboronic acid,, 4-(heptyloxy)phenylboronic acid, CTK4C0274, MolPort-000-931-563, [4-(n-Heptyloxy)phenyl]boronicacid;, ANW-20032, AKOS004116217, AB17311, AG-D-74119, RL01616
• IUPAC Name: (4-heptoxyphenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)OCCCCCCC)(O)O
• InChI Key: UHRONCCLURKEKO-UHFFFAOYSA-N
• Boiling Point: 381.9ºC at 760mmHg
• Flash Point: 184.8ºC
• Density: 1.03g/cm³
• Exact Mass: 236.15800
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 4-(Heptyloxy)benzeneboronic acid?

The molecular formula is C13H21BO3.

What is the molecular weight of 4-(Heptyloxy)benzeneboronic acid?

The molecular weight is 236.12 g/mol.

What is the IUPAC name of 4-(Heptyloxy)benzeneboronic acid?

The IUPAC name is (4-heptoxyphenyl)boronic acid.

What is the InChI of 4-(Heptyloxy)benzeneboronic acid?

The InChI is InChI=1S/C13H21BO3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10,15-16H,2-6,11H2,1H3.

What is the InChIKey of 4-(Heptyloxy)benzeneboronic acid?

The InChIKey is UHRONCCLURKEKO-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Heptyloxy)benzeneboronic acid?

The canonical SMILES is B(C1=CC=C(C=C1)OCCCCCCC)(O)O.

What is the CAS number of 4-(Heptyloxy)benzeneboronic acid?

The CAS number is 136370-19-9.

What is the European Community (EC) Number of 4-(Heptyloxy)benzeneboronic acid?

The European Community (EC) Number is 833-866-0.

What is the DSSTox Substance ID of 4-(Heptyloxy)benzeneboronic acid?

The DSSTox Substance ID is DTXSID00402080.

Is 4-(Heptyloxy)benzeneboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.