2-(Diphenylphosphino)benzoic acid

Catalog Number	ACM17261288-1
CAS	17261-28-8
Structure
Synonyms	O-(Diphenylphosphino)Benzoic Acid; Dppbac
IUPAC Name	2-diphenylphosphanylbenzoic acid
Molecular Weight	306.29
Molecular Formula	C19H15O2P
InChI	UYRPRYSDOVYCOU-UHFFFAOYSA-N
InChI Key	InChI=1S/C19H15O2P/c20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,20,21)
Boiling Point	159 °C
Melting Point	174-181 °C(lit.)
Purity	98%
Appearance	Solid
Isomeric SMILES	C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O
pKa	3.72±0.36(Predicted)

Q&A

What is the IUPAC name of the compound with the CAS number 17261-28-8?

The IUPAC name is 2-diphenylphosphanylbenzoic acid.

What is the molecular formula of 2-(Diphenylphosphino)benzoic acid?

The molecular formula is C19H15O2P.

What is the molecular weight of 2-(Diphenylphosphino)benzoic acid?

The molecular weight is 306.3 g/mol.

How many hydrogen bond acceptors does 2-(Diphenylphosphino)benzoic acid have?

It has 2 hydrogen bond acceptors.

What is the Canonical SMILES representation of 2-(Diphenylphosphino)benzoic acid?

The Canonical SMILES is C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O.

Does 2-(Diphenylphosphino)benzoic acid have any defined atom stereocenters?

No, it does not have any defined atom stereocenters.

How many rotatable bonds are present in the structure of 2-(Diphenylphosphino)benzoic acid?

There are 4 rotatable bonds.

What is the XLogP3 value of 2-(Diphenylphosphino)benzoic acid?

The XLogP3 value is 4.1.

Provide one other synonym for 2-(Diphenylphosphino)benzoic acid.

One other synonym is 2-diphenylphosphinobenzoic acid.

What is the InChIKey of 2-(Diphenylphosphino)benzoic acid?

The InChIKey is UYRPRYSDOVYCOU-UHFFFAOYSA-N.