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· · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock NCX-4016 - Moligand™ , CAS No.175033-36-0
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
GTPL9018 | DTXSID60938618 | Benzoic acid, 2-(acetyloxy)-, 3-[(nitrooxy)methyl]phenyl ester | AKOS025294730 | (R)-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester | HY-123823 | SCHEMBL19524 | Benzoic acid, 2-(acetyloxy)-, 2-((nitroox
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonymes
GTPL9018 | DTXSID60938618 | Benzoic acid, 2-(acetyloxy)-, 3-[(nitrooxy)methyl]phenyl ester | AKOS025294730 | (R)-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester | HY-123823 | SCHEMBL19524 | Benzoic acid, 2-(acetyloxy)-, 2-((nitroox
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Noms et identifiants Sourires canoniques
CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-]
IUPAC Name
[3-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate
InChIKey
IOJUJUOXKXMJNF-UHFFFAOYSA-N
INCHI
1S/C16H13NO7/c1-11(18)23-15-8-3-2-7-14(15)16(19)24-13-6-4-5-12(9-13)10-22-17(20)21/h2-9H,10H2,1H3
Isomères SMILES
CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-]
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 Phenylpropanoids and polyketides Classe Depsides and depsidones Subclass Not available Intermediate Tree Nodes Not available Direct Parent Depsides and depsidones Alternative Parents Acylsalicylic acids and derivatives Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Dicarboxylic acids and derivatives Alkyl nitrates Organic nitro compounds Organic nitric acids and derivatives Carboxylic acid esters Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Depside backbone - Acylsalicylic acid or derivatives - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Alkyl nitrate - Organic nitrate - Organic nitro compound - Carboxylic acid ester - Organic nitric acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). External Descriptors Not available 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.
Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Point de fusion (°C) 61-62° C Poids moléculaire 331.280 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 7 Exact Mass 331.069 Da Monoisotopic Mass 331.069 Da Topological Polar Surface Area 108.000 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 462.000 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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