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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque Oxepinac , CAS No.55689-65-1
Disponível para encomenda
Synonyms
Oxepinac|Oxepinac [INN]|6,11-Dihydro-11-oxodibenz(b,e)oxepin-3-acetic acid|Oxepinaco [Spanish]|Oxepinacum|Oxepinaco|Oxepinacum [INN-Latin]|Oxepinaco [INN-Spanish]|di-iso-decylphthalate|6,11-Dihydro-11-oxo-dibenz(b,e)oxepin-3-acetic acid|2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetic acid|6,11-Dihydro-11-oxodibenz(b,e)oxepin-3-essigsaure [German]|OXEPINAC [JAN]|6,11-Dihydro-11-oxodibenz(b,e)oxepin-3-essigsaure|DIBENZ(b,e)OXEPIN-3-ACETIC ACID, 6,11-DIHYDRO-11-OXO-|(11-Oxo-6,11-dihydro-dibenzo[b,e]oxepin-3-yl)-acetic acid|2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl)acetic acid
Especificações Sinónimos
Oxepinac | Oxepinac [INN] | 6,11-Dihydro-11-oxodibenz(b,e)oxepin-3-acetic acid | Oxepinaco [Spanish] | Oxepinacum | Oxepinaco | Oxepinacum [INN-Latin] | Oxepinaco [INN-Spanish] | di-iso-decylphthalate | 6,11-Dihydro-11-oxo-dibenz(b,e)oxepin-3-acetic acid | 2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetic acid | 6,11-Dihydro-11-oxodibenz(b,e Show more
Condições de armazenamento de armazenamento
Room temperature
Propriedades do produto Nomes e identificadores Sorrisos canónicos
C1C2=CC=CC=C2C(=O)C3=C(O1)C=C(C=C3)CC(=O)O
IUPAC Name
2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetic acid
InChIKey
PYIHCGFQQSKYBO-UHFFFAOYSA-N
INCHI
1S/C16H12O4/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)
SMILES isoméricas
C1C2=CC=CC=C2C(=O)C3=C(O1)C=C(C=C3)CC(=O)O
Dados avançados Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Classe Benzoxepines Subclass Dibenzoxepines Intermediate Tree Nodes Not available Direct Parent Dibenzoxepines Alternative Parents Aryl ketones Alkyl aryl ethers Benzenoids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Dibenzoxepine - Aryl ketone - Alkyl aryl ether - Benzenoid - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound Descrição This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring. 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.
Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Peso molecular 268.260 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 268.074 Da Monoisotopic Mass 268.074 Da Topological Polar Surface Area 63.600 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 392.000 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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