Name: 2-(3,4-dimethoxyphenyl)-2-methylpropanoic acid , CAS No.59212-11-2
Brand: Aladdin Scientific
SKU: M616196
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Phenylpropanes Phenoxy compounds Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-dimethoxybenzene - Dimethoxybenzene - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
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	224.250 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	224.105 Da
Monoisotopic Mass	224.105 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	249.000
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	CC(C)(C1=CC(=C(C=C1)OC)OC)C(=O)O
IUPAC Name	2-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
InChIKey	FUSMQKBNNJVGSB-UHFFFAOYSA-N
INCHI	1S/C12H16O4/c1-12(2,11(13)14)8-5-6-9(15-3)10(7-8)16-4/h5-7H,1-4H3,(H,13,14)
Isómeros SMILES	CC(C)(C1=CC(=C(C=C1)OC)OC)C(=O)O
PubChem CID	12259713
Peso molecular	224.26

2-(3,4-dimethoxyphenyl)-2-methylpropanoic acid , CAS No.59212-11-2

Specifications