Diethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2,5-dicarboxylate

Name: Diethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2,5-dicarboxylate
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CAS No. 459157-17-6
Cat. No. CS-0545587
Molecule weight294.30
Purity≥98%
MDL No.None

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Diethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2,5-dicarboxylate|CS-0545587

Structure of 459157-17-6

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General Information

CAS No. 459157-17-6
Cat. No. CS-0545587
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₈N₂O₅
Molecular Weight 294.30
Synonym(s) 4-Oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2,5-dicarboxylic acid diethyl ester
SMILES CCOC(=O)C1CCCN2C(=CC(=N2)C(=O)OCC)C1=O

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

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Computational Chemistry Data

TPSA 87.49
LogP 1.2156
H_Acceptors 7
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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Diethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2,5-dicarboxylate

CAS No. 459157-17-6

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