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DL-4-Hydroxy-3-methoxymandelic acid - ≥95%, high purity , CAS No.2394-20-9
Basic Description
Synonyms
Vanillylmandelic acid | 55-10-7 | dl-4-Hydroxy-3-methoxymandelic acid | 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid | 4-HYDROXY-3-METHOXYMANDELIC ACID | 2394-20-9 | Vanilmandelic acid | DL-vanillylmandelic acid | (+/-)-Vanillylmandelic acid | VMA | DL-vanillomandelic
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Methoxyphenols
Intermediate Tree Nodes
Not available
Direct Parent
Methoxyphenols
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors
aromatic ether - phenols - 2-hydroxy monocarboxylic acid
Data sources
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
INCHI
InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
InChIKey
CGQCWMIAEPEHNQ-UHFFFAOYSA-N
Smiles
COC1=C(C=CC(=C1)C(C(=O)O)O)O
Isomeric SMILES
COC1=C(C=CC(=C1)C(C(=O)O)O)O
Molecular Weight
198.17
Reaxy-Rn
2213227
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213227&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
198.170 g/mol
XLogP3
-0.200
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
198.053 Da
Monoisotopic Mass
198.053 Da
Topological Polar Surface Area
87.000 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
205.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Xin Huang, Rui Wang, Yikai Wang, Changbao Chen, Shuying Liu.
(2023)
Investigation on property differences of ginseng and American ginseng by spatial metabolomics of neurochemicals with desorption electrospray ionization mass spectrometry imaging. JOURNAL OF ETHNOPHARMACOLOGY,
303
(116006).
2.
Cheng Zenghui, Wang Chunpeng, Yu Juan, Liu Meihong, Wang Jifu, Zhang Daihui, Chu Fuxiang.
(2021)
Rosin-derived porous microspheres with robust selective cationic dye adsorption. IRANIAN POLYMER JOURNAL,
30
(10):
(1041-1052).
3.
Yue Zhang, Linfang Li, Ye Gao, Xinnan Wang, Lei Sun, Wei Ji, Yukihiro Ozaki.
(2020)
Nitrosonaphthol reaction-assisted SERS assay for selective determination of 5-hydroxyindole-3-acetic acid in human urine. ANALYTICA CHIMICA ACTA,
1134
(34).
4.
Yifei Ma, Lijie Zhang, Hong Yang, Shanshan Zhu, Jinhua Liu.
(2025)
Imidazole-triggered in situ fluorescence reaction system for quantitatively determination of dopamine from multiple sources. TALANTA,
(127975).
5.
Jie Fu, Jiawang Wang, Yihong Ding, Shouzhe Deng, Cherie S. Tan, Shuang Li.
(2025)
Wearable physicochemical-sensing system integrated with diaper for pheochromocytoma monitoring. SENSORS AND ACTUATORS B-CHEMICAL,
433
(137520).
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5 Citations