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· · COA & SDS available for every product · Same-day shipping on in-stock items Isovanillic acid - 10mM in DMSO , CAS No.645-08-9
GRADE & PURITY 10mM in DMSO
Synonyms
DTXSID40214745 | CCG-266344 | EINECS 211-430-5 | GS-3245 | 3-Hydroxy-p-anisic acid | UNII-A8D1DUX2PR | AC-2478 | 3-Hydroxyanisic acid | Acide isovanillique | InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11 | SCHEMBL180473 | Benzoic acid,
Shipped In
Dry ice packs + Cold packs
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Why this grade 10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview It can be used in the synthesis of opiate alkaloid precursor, dihydrothebainone.
Specifications Synonyms
DTXSID40214745 | CCG-266344 | EINECS 211-430-5 | GS-3245 | 3-Hydroxy-p-anisic acid | UNII-A8D1DUX2PR | AC-2478 | 3-Hydroxyanisic acid | Acide isovanillique | InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11 | SCHEMBL180473 | Benzoic acid,
Specifications & Purity
10mM in DMSO
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles
COC1=C(C=C(C=C1)C(=O)O)O
IUPAC Name
3-hydroxy-4-methoxybenzoic acid
InChIKey
LBKFGYZQBSGRHY-UHFFFAOYSA-N
INCHI
1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
Isomeric SMILES
COC1=C(C=C(C=C1)C(=O)O)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208365&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Methoxybenzoic acids and derivatives Direct Parent P-methoxybenzoic acids and derivatives Alternative Parents Methoxyphenols Hydroxybenzoic acid derivatives Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents P-methoxybenzoic acid or derivatives - Hydroxybenzoic acid - Methoxyphenol - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. External Descriptors monohydroxybenzoic acid - methoxybenzoic 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties x_melt_point_char 250-253°C Molecular Weight 168.150 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 168.042 Da Monoisotopic Mass 168.042 Da Topological Polar Surface Area 66.800 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 168.000 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
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