Name: 4-(Methoxymethoxy)benzoic acid - ≥98% , CAS No.25458-44-0
Brand: Aladdin Scientific
SKU: M192327
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Phenoxy compounds Phenol ethers Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
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	182.170 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	182.058 Da
Monoisotopic Mass	182.058 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	161.000
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	COCOC1=CC=C(C=C1)C(=O)O
IUPAC Name	4-(methoxymethoxy)benzoic acid
InChIKey	XIFRBTZCMICRPL-UHFFFAOYSA-N
INCHI	1S/C9H10O4/c1-12-6-13-8-4-2-7(3-5-8)9(10)11/h2-5H,6H2,1H3,(H,10,11)
Isómeros SMILES	COCOC1=CC=C(C=C1)C(=O)O
Peso molecular	182.17
Reaxy-Rn	2614476
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2614476&ln=

4-(Methoxymethoxy)benzoic acid - ≥98% , CAS No.25458-44-0

Specifications