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Elementi costitutivi organici
3-(2,3-Dimethylphenyl)-2'-methoxypropiophenone , CAS No.898769-02-3

3-(2,3-Dimethylphenyl)-2'-methoxypropiophenone , CAS No.898769-02-3

Name: 3-(2,3-Dimethylphenyl)-2'-methoxypropiophenone , CAS No.898769-02-3
SKU: D1243256
Availability: InStock

CAS: 898769-02-3 Cat. No.: D1243256 Formula: C₁₈H₂₀O₂ Peso molecolare: 268.356 PubChem CID: 24726221

COA

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Specifications Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

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Why this grade

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

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

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Nomi e identificatori

Sorrisi canonici	CC1=C(C(=CC=C1)CCC(=O)C2=CC=CC=C2OC)C
IUPAC Name	3-(2,3-dimethylphenyl)-1-(2-methoxyphenyl)propan-1-one
InChIKey	CPJYIWQOCCNNMI-UHFFFAOYSA-N
INCHI	1S/C18H20O2/c1-13-7-6-8-15(14(13)2)11-12-17(19)16-9-4-5-10-18(16)20-3/h4-10H,11-12H2,1-3H3
Isomeri SMILES	CC1=C(C(=CC=C1)CCC(=O)C2=CC=CC=C2OC)C
PubChem CID	24726221
Peso molecolare	268.356

Documentazione

📋 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.

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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

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Classe Linear 1,3-diarylpropanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Classe	Linear 1,3-diarylpropanoids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Linear 1,3-diarylpropanoids
Alternative Parents	Alkyl-phenylketones Butyrophenones o-Xylenes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Butyrophenone - Phenylketone - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Xylene - O-xylene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
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

Struttura 3D

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Proprietà chimiche e fisiche

Peso molecolare	268.300 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	268.146 Da
Monoisotopic Mass	268.146 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	313.000
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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