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What is the molecular formula of 4-(3-Oxobutyl)phenyl valerate?
The molecular formula is C15H20O3.
What is the molecular weight of 4-(3-Oxobutyl)phenyl valerate?
The molecular weight is 248.32 g/mol.
What is the IUPAC name of 4-(3-Oxobutyl)phenyl valerate?
The IUPAC name is [4-(3-oxobutyl)phenyl] pentanoate.
What is the InChIKey of 4-(3-Oxobutyl)phenyl valerate?
The InChIKey is VULZZNWKMGTYEE-UHFFFAOYSA-N.
What is the Canonical SMILES for 4-(3-Oxobutyl)phenyl valerate?
The Canonical SMILES is CCCCC(=O)OC1=CC=C(C=C1)CCC(=O)C.
What is the CAS number for 4-(3-Oxobutyl)phenyl valerate?
The CAS number is 94202-15-0.
What is the XLogP3-AA value for 4-(3-Oxobutyl)phenyl valerate?
The XLogP3-AA value is 3.
How many hydrogen bond acceptor counts does 4-(3-Oxobutyl)phenyl valerate have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 4-(3-Oxobutyl)phenyl valerate?
The topological polar surface area is 43.4 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.