Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Indoles and derivatives
Subclass	Carbazoles
Intermediate Tree Nodes	Not available
Direct Parent	Carbazoles
Alternative Parents	Indolecarboxylic acids Indoles Benzenoids Pyrroles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Carbazole - Indolecarboxylic acid - Indolecarboxylic acid derivative - Indole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to 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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Fecha	Articulo
E2014045	Certificate of Analysis	Mar 14, 2024	H193654

Propiedades químicas y físicas

Peso molecular	211.220 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	211.063 Da
Monoisotopic Mass	211.063 Da
Topological Polar Surface Area	53.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	292.000
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

Citations of This Product

Referencias

1. Tian Yunting, Li Yongmei, Tan Kaixuan, Li Chunguang, Li Xiaojie, Liu Wei, Tang Zhipeng, Liu Longcheng. (2024) Influence of bentonite colloids on the migration of the radionuclide Se(IV) in granite fracture under reducing conditions. JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY, [PMID:] [10.1007/s10967-024-09642-z]
2. Haoran Sun, Chen Wang, Yucheng Liu, Mingming Yin, Shuo Wang, Lizhang Wang. (2025) One-pot electrochemical organic wastewater oxidation coupled with simultaneous CO2 conversion to fuel in the “CO2-depleted” environment. Journal of Environmental Chemical Engineering, [PMID:] [10.1016/j.jece.2025.117810]

Calculadoras de soluciones

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Reseñas

Pubchem Sid	504762481
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762481
Sonrisas canónicas	C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C(=O)O
IUPAC Name	9H-carbazole-3-carboxylic acid
InChIKey	UZRJWXGXZKPSJO-UHFFFAOYSA-N
INCHI	1S/C13H9NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H,(H,15,16)
Isómeros SMILES	C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C(=O)O
Peso molecular	211.22
Reaxy-Rn	162304
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=162304&ln=

ácido 9H-carbazol-3-carboxílico - ≥95% , CAS No.51035-17-7

Specifications