1,10-Phenanthroline-5-carboxylic acid

• Catalog Number: ACM630067060-1
• Product Name: 1,10-Phenanthroline-5-carboxylic acid
• CAS: 630067-06-0
• Category: Heterocyclic Organic Compound
• Synonyms: 5-Carboxy-1,10-phenanthroline
• IUPAC Name: 1,10-phenanthroline-5-carboxylic acid
• Molecular Weight: 224.21
• Molecular Formula: C13H8N2O2
• InChI: UCJSMIWAXWPDOJ-UHFFFAOYSA-N
• InChI Key: InChI=1S/C13H8N2O2/c16-13(17)10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,(H,16,17)
• Boiling Point: 467.2 °C at 760 mmHg
• Melting Point: 335-337 °C
• Density: 1.431
• Complexity: 308
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 224.058577502g/mol
• Formal Charge: 0
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C1=CC2=CC(=C3C=CC=NC3=C2N=C1)C(=O)O
• Isotope Atom Count: 0
• Monoisotopic Mass: 224.058577502g/mol
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 63.1Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: 2

Custom Reviews

June 16, 2023

Practical

1,10-Phenanthroline-5-carboxylic acid is very practical and can improve the efficiency and accuracy of the experiment.

Custom Q&A

What is the molecular formula of 1,10-Phenanthroline-5-carboxylic acid?

The molecular formula of 1,10-Phenanthroline-5-carboxylic acid is C13H8N2O2.

When was 1,10-Phenanthroline-5-carboxylic acid created and modified in PubChem?

1,10-Phenanthroline-5-carboxylic acid was created in 2005-09-08 and modified in 2023-12-30.

What is the molecular weight of 1,10-Phenanthroline-5-carboxylic acid?

The molecular weight of 1,10-Phenanthroline-5-carboxylic acid is 224.21 g/mol.

What is the IUPAC name of 1,10-Phenanthroline-5-carboxylic acid?

The IUPAC name of 1,10-Phenanthroline-5-carboxylic acid is 1,10-phenanthroline-5-carboxylic acid.

What is the Canonical SMILES representation of 1,10-Phenanthroline-5-carboxylic acid?

The Canonical SMILES representation of 1,10-Phenanthroline-5-carboxylic acid is C1=CC2=CC(=C3C=CC=NC3=C2N=C1)C(=O)O.

How many hydrogen bond donor counts are there in 1,10-Phenanthroline-5-carboxylic acid?

There is 1 hydrogen bond donor count in 1,10-Phenanthroline-5-carboxylic acid.

How many hydrogen bond acceptor counts are there in 1,10-Phenanthroline-5-carboxylic acid?

There are 4 hydrogen bond acceptor counts in 1,10-Phenanthroline-5-carboxylic acid.

What is the topological polar surface area of 1,10-Phenanthroline-5-carboxylic acid?

The topological polar surface area of 1,10-Phenanthroline-5-carboxylic acid is 63.1 Ų.

How many rotatable bond counts are there in 1,10-Phenanthroline-5-carboxylic acid?

There is 1 rotatable bond count in 1,10-Phenanthroline-5-carboxylic acid.

Is 1,10-Phenanthroline-5-carboxylic acid a canonicalized compound according to PubChem?

Yes, 1,10-Phenanthroline-5-carboxylic acid is a canonicalized compound in PubChem.