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1，10-Phenanthroline-4-carboxylic acid - ≥98%, high purity , CAS No.31301-27-6

COA

Grade & Purity:

≥98%

Cas Number: 31301-27-6
Molecular Weight: 224.21
PubChem CID: 21711859

In stock

Item Number

P730124

Grouped product items
SKU	Size	Availability	Price	Qty
P730124-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$177.90
P730124-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$430.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Phenanthrolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Phenanthrolines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthrolines
Alternative Parents	Quinoline carboxylic acids Pyridinecarboxylic acids Benzenoids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,10-phenanthroline - Quinoline-4-carboxylic acid - Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1,10-phenanthroline-4-carboxylic acid
INCHI	InChI=1S/C13H8N2O2/c16-13(17)10-5-7-15-12-9(10)4-3-8-2-1-6-14-11(8)12/h1-7H,(H,16,17)
InChIKey	VNUCJFRSRNCDFO-UHFFFAOYSA-N
Smiles	C1=CC2=C(C3=NC=CC(=C3C=C2)C(=O)O)N=C1
Isomeric SMILES	C1=CC2=C(C3=NC=CC(=C3C=C2)C(=O)O)N=C1
PubChem CID	21711859
Molecular Weight	224.21

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	224.210 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	224.059 Da
Monoisotopic Mass	224.059 Da
Topological Polar Surface Area	63.100 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	308.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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