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340,000+ 연구 제품 · Triple ISO certified · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송 6-Cyclopropylnicotinic acid - ≥95% , CAS No.75893-75-3
Synonyms
6-cyclopropylnicotinicacid|6-cyclopropylnicotinic acid|6-CYCLOPROPYLPYRIDINE-3-CARBOXYLIC ACID|6-Cyclppropylpyridine-3-carboxylic acid
사양 동의어
6-cyclopropylnicotinicacid | 6-cyclopropylnicotinic acid | 6-CYCLOPROPYLPYRIDINE-3-CARBOXYLIC ACID | 6-Cyclppropylpyridine-3-carboxylic acid
이름과 식별자 정식 스마일
C1CC1C2=NC=C(C=C2)C(=O)O
IUPAC Name
6-cyclopropylpyridine-3-carboxylic acid
InChIKey
AZQLYGCISPLJER-UHFFFAOYSA-N
INCHI
1S/C9H9NO2/c11-9(12)7-3-4-8(10-5-7)6-1-2-6/h3-6H,1-2H2,(H,11,12)
이성체 SMILES
C1CC1C2=NC=C(C=C2)C(=O)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21376694&ln=
고급 데이터 Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds 분류 Pyridines and derivatives Subclass Pyridinecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyridinecarboxylic acids Alternative Parents Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyridine carboxylic acid - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound 설명 This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. 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 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 분자량 163.170 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 163.063 Da Monoisotopic Mass 163.063 Da Topological Polar Surface Area 50.200 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 189.000 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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