Name: 2-Hydroxy-5-(hydroxymethyl)benzaldehyde - ≥97% , CAS No.74901-08-9
Brand: Aladdin Scientific
SKU: H304549
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Clase	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes - Aryl-aldehydes - Benzaldehydes
Direct Parent	Hydroxybenzaldehydes
Alternative Parents	Benzyl alcohols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzaldehyde - Benzyl alcohol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Alcohol - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl 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

Punto de inflamación (°C)	153.4°C
Punto de ebullición (°C)	306.5°C
Peso molecular	152.150 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.047 Da
Monoisotopic Mass	152.047 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	135.000
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	C1=CC(=C(C=C1CO)C=O)O
IUPAC Name	2-hydroxy-5-(hydroxymethyl)benzaldehyde
InChIKey	MFHBKQHAPQBJFO-UHFFFAOYSA-N
INCHI	1S/C8H8O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,9,11H,4H2
Isómeros SMILES	C1=CC(=C(C=C1CO)C=O)O
Peso molecular	152.15
Reaxy-Rn	3237579
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3237579&ln=

2-Hydroxy-5-(hydroxymethyl)benzaldehyde - ≥97% , CAS No.74901-08-9

Specifications