1,10-Phenanthroline-5-carboxylic acid

Catalog Number	ACM630067060-1
CAS	630067-06-0
Structure
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
Purity	97%
Density	1.431
Complexity	308
Covalently-Bonded Unit Count	1
Defined Atom 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
Monoisotopic Mass	224.058577502g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1Ų

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.