Disponible para pedir
GRADE & PURITY ≥97%
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
M696374-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
15,90US$
1g
M696374-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
42,90US$
5g
M696374-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
144,90US$
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Specifications

Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasCOC1=C(C=C(C=C1)C=C(C#N)C#N)OC
IUPAC Name2-[(3,4-dimethoxyphenyl)methylidene]propanedinitrile
InChIKeyRENWPBQTHLAKLS-UHFFFAOYSA-N
INCHI1S/C12H10N2O2/c1-15-11-4-3-9(6-12(11)16-2)5-10(7-13)8-14/h3-6H,1-2H3
Isómeros SMILES COC1=C(C=C(C=C1)C=C(C#N)C#N)OC
PubChem CID 219691
Peso molecular 214.23

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassMethoxybenzenes
Intermediate Tree Nodes Not available
Direct ParentDimethoxybenzenes
Alternative Parents Phenoxy compounds  Anisoles  Alkyl aryl ethers  Nitriles  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (no humanos)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular214.220 g/mol
XLogP31.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass214.074 Da
Monoisotopic Mass214.074 Da
Topological Polar Surface Area66.000 Ų
Heavy Atom Count16
Formal Charge0
Complexity340.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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