Name: trans-(4-hydroxycyclohexyl) benzoate - ≥97% , CAS No.917771-54-1
SKU: T635123
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Klasse	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Benzoyl derivatives Cyclohexanols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Benzoyl - Cyclohexanol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	220.260 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	220.11 Da
Monoisotopic Mass	220.11 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	225.000
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

Lösungsrechner

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Bewertungen

Kanonisches Lächeln	C1CC(CCC1O)OC(=O)C2=CC=CC=C2
IUPAC Name	(4-hydroxycyclohexyl) benzoate
InChIKey	LNXMWBSIGLFCEE-UHFFFAOYSA-N
INCHI	1S/C13H16O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
Isomere SMILES	C1CC(CCC1O)OC(=O)C2=CC=CC=C2
Alternative CAS-Nummer	6308-92-5
PubChem CID	238109
NSC-Nummer	42297
Molekulargewicht	220.26

trans-(4-hydroxycyclohexyl) benzoate - ≥97% , CAS No.917771-54-1

Specifications