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5，7-dimethoxy-2，3-dihydro-1H-inden-1-one , CAS No.880-87-5

COA

Cas Number: 880-87-5
PubChem CID: 4370207

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Item Number

D136922

Articles du produit groupé
SKU	Taille	Disponibilité	Prix
D136922-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	87,90$US
D136922-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	214,90$US
D136922-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	648,90$US
D136922-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	1 167,90$US

Description générale

Synonymes	880-87-5 \| 5,7-Dimethoxyindan-1-one \| 5,7-Dimethoxy-indan-1-one \| 5,7-dimethoxy-1-indanone \| 5,7-dimethoxy-2,3-dihydro-1H-inden-1-one \| 5,7-dimethoxy-2,3-dihydroinden-1-one \| SCHEMBL1274286 \| DTXSID30402492 \| ZLTCXTRHEQUDGV-UHFFFAOYSA-N \| AM9477 \| MFCD02684971 \| 5,7-DIMETHOXY-
Expédié en	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Indanes
    - Subclass Indanones

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Indanes
Subclass	Indanones
Intermediate Tree Nodes	Not available
Direct Parent	Indanones
Alternative Parents	Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Indanone - Aryl alkyl ketone - Aryl ketone - Phenol ether - Anisole - Alkyl aryl ether - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Noms et identifiants

IUPAC Name	5,7-dimethoxy-2,3-dihydroinden-1-one
INCHI	InChI=1S/C11H12O3/c1-13-8-5-7-3-4-9(12)11(7)10(6-8)14-2/h5-6H,3-4H2,1-2H3
InChIKey	ZLTCXTRHEQUDGV-UHFFFAOYSA-N
Smiles	COC1=CC2=C(C(=O)CC2)C(=C1)OC
Isomères SMILES	COC1=CC2=C(C(=O)CC2)C(=C1)OC
Reaxy-Rn	2049392
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049392&ln=

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propriétés chimiques et physiques

Poids moléculaire	192.210 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	192.079 Da
Monoisotopic Mass	192.079 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	227.000
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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