Ethyl 2-hydroxy-2-(7-hydroxy-6-(methoxymethoxy)benzo[d][1,3]dioxol-4-yl)acetate - ≥97% , CAS No.874758-53-9

CAS: 874758-53-9 Cat. No.: E1237342 Molecular Weight: 300.26
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GRADE & PURITY ≥97%
Storage
Room temperature
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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

Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCCOC(=O)C(C1=CC(=C(C2=C1OCO2)O)OCOC)O
IUPAC Nameethyl 2-hydroxy-2-[7-hydroxy-6-(methoxymethoxy)-1,3-benzodioxol-4-yl]acetate
InChIKeyHVXSQJJANFLGAW-UHFFFAOYSA-N
INCHI1S/C13H16O8/c1-3-18-13(16)9(14)7-4-8(19-5-17-2)10(15)12-11(7)20-6-21-12/h4,9,14-15H,3,5-6H2,1-2H3
Molecular Weight 300.26

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzodioxoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzodioxoles
Alternative Parents Benzenoids  Secondary alcohols  Carboxylic acid esters  Oxacyclic compounds  Monocarboxylic acids and derivatives  Acetals  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Aromatic alcohols  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzodioxole - Benzenoid - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight300.260 g/mol
XLogP30.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass300.085 Da
Monoisotopic Mass300.085 Da
Topological Polar Surface Area104.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity349.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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