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· · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송 trans-2-Nitrocinnamic acid - ≥98% , CAS No.612-41-9
Synonyms
BBQDLDVSEDAYAA-AATRIKPKSA- | MLS000775419 | STK414988 | J-501880 | (2E)-3-(2-nitrophenyl)prop-2-enoic acid | trans-3-(2-Nitrophenyl)acrylic acid | E-3-(2-nitrophenyl)propenoic acid | o-Nitrocinnamic acid | SMR000368499 | NSC638145 | NSC-638145 | SCHEMBL42
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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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications 동의어
BBQDLDVSEDAYAA-AATRIKPKSA- | MLS000775419 | STK414988 | J-501880 | (2E)-3-(2-nitrophenyl)prop-2-enoic acid | trans-3-(2-Nitrophenyl)acrylic acid | E-3-(2-nitrophenyl)propenoic acid | o-Nitrocinnamic acid | SMR000368499 | NSC638145 | NSC-638145 | SCHEMBL42
이름과 식별자 Pubchem Sid 488191312 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191312 정식 스마일 C1=CC=C(C(=C1)C=CC(=O)O)[N+](=O)[O-] IUPAC Name (E)-3-(2-nitrophenyl)prop-2-enoic acid InChIKey BBQDLDVSEDAYAA-AATRIKPKSA-N INCHI 1S/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)/b6-5+ 이성체 SMILES C1=CC=C(C(=C1)/C=C/C(=O)O)[N+](=O)[O-] WGK 독일 3 RTECS UD3642850 대체 CAS 1013-96-3 PubChem CID 735923 분자량 193.16 Beilstein 2211209 Reaxy-Rn 975871
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 Cinnamic acids Intermediate Tree Nodes Not available Direct Parent Cinnamic acids Alternative Parents Nitrobenzenes Styrenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Cinnamic acid - Nitrobenzene - Nitroaromatic compound - Styrene - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound 설명 This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. 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.
3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 녹는점(°C) 243-245°C 분자량 193.160 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 193.038 Da Monoisotopic Mass 193.038 Da Topological Polar Surface Area 83.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 256.000 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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