1-(5,7-Dihydroxy-2,2-dimethyl-2H-chromen-6-yl)ethanone

Name: 1-(5,7-Dihydroxy-2,2-dimethyl-2H-chromen-6-yl)ethanone
Brand: ChemScene
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CAS No. 31380-13-9
Cat. No. CS-0069182
Molecule weight234.25
Purity≥98%
MDL No.None

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Excepted Quantity	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-(5,7-Dihydroxy-2,2-dimethyl-2H-chromen-6-yl)ethanone|CS-0069182

Structure of 31380-13-9

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General Information

CAS No. 31380-13-9
Cat. No. CS-0069182
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₄O₄
Molecular Weight 234.25
Synonym(s) Ethanone, 1-(5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-
SMILES OC1=C(C(O)=CC2=C1C=CC(C)(O2)C)C(C)=O

Synthesis

Route1
- 1111-97-3
- In-stock
  
  480-66-0
- ~%
- 31380-13-9
- 31380-14-0
References
- Gissaub, M. Amzad; Tarafdar Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1998 , vol. 37, # 6 p. 540 - 543
Route2
- 1111-97-3
- In-stock
  
  480-66-0
- ~%
- 31380-13-9
References
- Hossain, M. Amzad Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 2001 , vol. 40, # 2 p. 93 - 95

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

TPSA 66.76
LogP 2.4846
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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1-(5,7-Dihydroxy-2,2-dimethyl-2H-chromen-6-yl)ethanone

CAS No. 31380-13-9

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Synthesis

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