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· · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송 Okicenone , CAS No.137018-54-3
Synonyms
Okicenone|4,6,9-Trihydroxy-8-methyl-3,4-dihydro-2H-anthracen-1-one|3,4-Dihydro-4,6,9-trihydroxy-8-methyl-1(2H)-anthracenone|1(2H)-Anthracenone, 3,4-dihydro-4,6,9-trihydroxy-8-methyl-|4,6,9-Trihydroxy-8-methyl-3,4-dihydroanthracen-1(2H)-one
사양 동의어
Okicenone | 4,6,9-Trihydroxy-8-methyl-3,4-dihydro-2H-anthracen-1-one | 3,4-Dihydro-4,6,9-trihydroxy-8-methyl-1(2H)-anthracenone | 1(2H)-Anthracenone, 3,4-dihydro-4,6,9-trihydroxy-8-methyl- | 4,6,9-Trihydroxy-8-methyl-3,4-dihydroanthracen-1(2H)-one
제품 특성 이름과 식별자 정식 스마일
CC1=CC(=CC2=CC3=C(C(=O)CCC3O)C(=C12)O)O
IUPAC Name
4,6,9-trihydroxy-8-methyl-3,4-dihydro-2H-anthracen-1-one
InChIKey
LIETVYHJBSLSSW-UHFFFAOYSA-N
INCHI
1S/C15H14O4/c1-7-4-9(16)5-8-6-10-11(17)2-3-12(18)14(10)15(19)13(7)8/h4-6,11,16-17,19H,2-3H2,1H3
이성체 SMILES
CC1=CC(=CC2=CC3=C(C(=O)CCC3O)C(=C12)O)O
고급 데이터 Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids 분류 Anthracenes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Anthracenes Alternative Parents Naphthols and derivatives Tetralins Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary alcohols Polyols Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homopolycyclic compounds Substituents Anthracene - 2-naphthol - 1-naphthol - Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic compound 설명 This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. 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) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 분자량 258.269 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 0 Exact Mass 258.089 Da Monoisotopic Mass 258.089 Da Topological Polar Surface Area 77.800 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 369.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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