Name: 3-cyclohexyl-2-oxopropanoic acid - ≥97% , CAS No.5962-91-4
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Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Clase	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Carbocyclic fatty acids
Alternative Parents	Alpha-keto acids and derivatives Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Carbocyclic fatty acid - Keto acid - Alpha-keto acid - Alpha-hydroxy ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic 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

Mecanismos de acción

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

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

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	170.210 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	170.094 Da
Monoisotopic Mass	170.094 Da
Topological Polar Surface Area	54.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	180.000
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	C1CCC(CC1)CC(=O)C(=O)O
IUPAC Name	3-cyclohexyl-2-oxopropanoic acid
InChIKey	ZKQKNYMCJALGFK-UHFFFAOYSA-N
INCHI	1S/C9H14O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12)
Isómeros SMILES	C1CCC(CC1)CC(=O)C(=O)O
PubChem CID	11953639
Peso molecular	170.21

3-cyclohexyl-2-oxopropanoic acid - ≥97% , CAS No.5962-91-4

Specifications