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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 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 同義語
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
名前と識別子 パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/488191312
カノニカル・スマイル
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+
異性体SMILES
C1=CC=C(C(=C1)/C=C/C(=O)O)[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 分類 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 説明 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.
3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 融点（°C） 243-245°C 分子量 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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