Name: (2R)-3-cyclohexyl-2-hydroxy-propanoic acid - ≥97% , CAS No.156469-00-0
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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	Hydroxy fatty acids Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Carbocyclic fatty acid - Hydroxy fatty acid - Hydroxy acid - Alpha-hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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

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	172.220 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	172.11 Da
Monoisotopic Mass	172.11 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	150.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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(C(=O)O)O
IUPAC Name	(2R)-3-cyclohexyl-2-hydroxypropanoic acid
InChIKey	WMHUKKRNWMPXKB-MRVPVSSYSA-N
INCHI	1S/C9H16O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12)/t8-/m1/s1
Isómeros SMILES	C1CCC(CC1)C[C@H](C(=O)O)O
CAS alternativo	156469-00-0
PubChem CID	54438349
Peso molecular	172.22

(2R)-3-cyclohexyl-2-hydroxy-propanoic acid - ≥97% , CAS No.156469-00-0

Specifications