Ethynylboronic acid MIDA ester

• CAS: 1104637-53-7
• Catalog Number: ACM1104637537
• Category: Other Products; Boronic Acids
• Molecular Weight: 180.96g/mol
• Molecular Formula: C7H8BNO4
• IUPAC Name: 2-ethynyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
• Canonical SMILES: B1(OC(=O)CN(CC(=O)O1)C)C#C
• InChI: InChI=1S/C7H8BNO4/c1-3-8-12-6(10)4-9(2)5-7(11)13-8/h1H,4-5H2,2H3
• InChI Key: NHVZIRZCTRJEFP-UHFFFAOYSA-N
• Complexity: 262
• Covalently-Bonded Unit Count: 1
• Exact Mass: 181.054638g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 13
• Monoisotopic Mass: 181.054638g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of Ethynylboronic acid MIDA ester?

The molecular formula of Ethynylboronic acid MIDA ester is C7H8BNO4.

What is the molecular weight of Ethynylboronic acid MIDA ester?

The molecular weight of Ethynylboronic acid MIDA ester is 180.96 g/mol.

What is the IUPAC name of Ethynylboronic acid MIDA ester?

The IUPAC name of Ethynylboronic acid MIDA ester is 2-ethynyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione.

What is the InChI of Ethynylboronic acid MIDA ester?

The InChI of Ethynylboronic acid MIDA ester is InChI=1S/C7H8BNO4/c1-3-8-12-6(10)4-9(2)5-7(11)13-8/h1H,4-5H2,2H3.

What is the InChIKey of Ethynylboronic acid MIDA ester?

The InChIKey of Ethynylboronic acid MIDA ester is NHVZIRZCTRJEFP-UHFFFAOYSA-N.

What is the canonical SMILES of Ethynylboronic acid MIDA ester?

The canonical SMILES of Ethynylboronic acid MIDA ester is B1(OC(=O)CN(CC(=O)O1)C)C#C.

What is the CAS number of Ethynylboronic acid MIDA ester?

The CAS number of Ethynylboronic acid MIDA ester is 1104637-53-7.

What is the EC number of Ethynylboronic acid MIDA ester?

The EC number of Ethynylboronic acid MIDA ester is 878-040-0.

Is Ethynylboronic acid MIDA ester a canonicalized compound?

Yes, Ethynylboronic acid MIDA ester is a canonicalized compound.