Benzylphosphonic acid

• CAS: 6881-57-8
• Catalog Number: ACM6881578
• Category: Biomaterials
• Molecular Weight: 172.12g/mol
• Molecular Formula: C7H9O3P
• Synonyms: SALOR-INT L496219-1EA;BENZYLPHOSPHONIC ACID;LABOTEST-BB LT00408925;Benzylphosphonic acid, 98+%;Benzylphosphonicacid,97%;à-toluenephosphonic acid;Ai3-22857;Phosphonic acid, (phenylmethyl)-
• IUPAC Name: benzylphosphonic acid
• Canonical SMILES: C1=CC=C(C=C1)CP(=O)(O)O
• InChI: InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
• InChI Key: OGBVRMYSNSKIEF-UHFFFAOYSA-N
• Complexity: 157
• Covalently-Bonded Unit Count: 1
• Exact Mass: 172.028931g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 172.028931g/mol
• Rotatable Bond Count: 2
• XLogP3: -0.1

Custom Q&A

What is the molecular formula of Benzylphosphonic acid?

The molecular formula of Benzylphosphonic acid is C7H9O3P.

What is the molecular weight of Benzylphosphonic acid?

The molecular weight of Benzylphosphonic acid is 172.12 g/mol.

When was Benzylphosphonic acid created?

Benzylphosphonic acid was created on July 19, 2005.

What is the IUPAC Name of Benzylphosphonic acid?

The IUPAC Name of Benzylphosphonic acid is benzylphosphonic acid.

What is the InChI of Benzylphosphonic acid?

The InChI of Benzylphosphonic acid is InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10).

What is the Canonical SMILES of Benzylphosphonic acid?

The Canonical SMILES of Benzylphosphonic acid is C1=CC=C(C=C1)CP(=O)(O)O.

What is the CAS number of Benzylphosphonic acid?

The CAS number of Benzylphosphonic acid is 6881-57-8.

What is the XLogP3-AA value of Benzylphosphonic acid?

The XLogP3-AA value of Benzylphosphonic acid is -0.1.

How many hydrogen bond donor and acceptor counts does Benzylphosphonic acid have?

Benzylphosphonic acid has 2 hydrogen bond donor counts and 3 hydrogen bond acceptor counts.

Is Benzylphosphonic acid a canonicalized compound?

Yes, Benzylphosphonic acid is a canonicalized compound.