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· · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송 Ethyl caffeate - ≥98% , CAS No.102-37-4
Synonyms
4gqq | NSC619661 | NSC-619661 | ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate | (E)-ethyl caffeate | AC-34380 | HY-N6966 | 2-oxo-3-(phosphonooxy)-Propanoic acid | Caffeic acid ethyl ester | DTXSID201336725 | (E)-Ethyl Dihydroxycinnamate | 3-(3,4-Dihydroxy-ph
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Why this grade ≥98% 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
개요 Application
Ethyl caffeoate is a useful research chemical that can be used to mRNA maturation inhibition for cancer.
Specifications 동의어
4gqq | NSC619661 | NSC-619661 | ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate | (E)-ethyl caffeate | AC-34380 | HY-N6966 | 2-oxo-3-(phosphonooxy)-Propanoic acid | Caffeic acid ethyl ester | DTXSID201336725 | (E)-Ethyl Dihydroxycinnamate | 3-(3,4-Dihydroxy-ph
이름과 식별자 Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763575
정식 스마일
CCOC(=O)C=CC1=CC(=C(C=C1)O)O
IUPAC Name
ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChIKey
WDKYDMULARNCIS-GQCTYLIASA-N
INCHI
1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
이성체 SMILES
CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2646303&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 Phenylpropanoids and polyketides 분류 Cinnamic acids and derivatives Subclass Hydroxycinnamic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Coumaric acids and derivatives Alternative Parents Cinnamic acid esters Styrenes Catechols Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Coumaric acid or derivatives - Cinnamic acid ester - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound 설명 This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. External Descriptors hydroxycinnamic 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 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 분자량 208.210 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 208.074 Da Monoisotopic Mass 208.074 Da Topological Polar Surface Area 66.800 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 237.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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