CAS
898793-09-4 Purity
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898793-09-4 Purity
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Ethyl 7-(3,4-dimethylphenyl)-7-oxoheptanoate
CAS
898793-12-9
Catalog Number
ACM898793129
Category
Other Products
Molecular Weight
276.37
Molecular Formula
C17H24O3
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Specification
Synonyms
ETHYL 7-(3,4-DIMETHYLPHENYL)-7-OXOHEPTANOATE
What is the molecular formula of Ethyl 7-(3,4-dimethylphenyl)-7-oxoheptanoate?
The molecular formula is C17H24O3.
When was this compound created and modified?
The compound was created on February 29, 2008, and modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 7-(3,4-dimethylphenyl)-7-oxoheptanoate.
What is the molecular weight of the compound?
The molecular weight is 276.4 g/mol.
What is the InChI of the compound?
The InChI is InChI=1S/C17H24O3/c1-4-20-17(19)9-7-5-6-8-16(18)15-11-10-13(2)14(3)12-15/h10-12H,4-9H2,1-3H3.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCOC(=O)CCCCCC(=O)C1=CC(=C(C=C1)C)C.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.7.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 43.4Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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