CAS
898791-56-5 Purity
96%
898791-56-5 Purity
96%
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5-(2-Ethoxyphenyl)-5-oxovaleric acid
CAS
898791-59-8
Catalog Number
ACM898791598
Category
Other Products
Molecular Weight
236.26
Molecular Formula
C13H16O4
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Specification
Synonyms
5-(2-ETHOXYPHENYL)-5-OXOVALERIC ACID
IUPAC Name
5-(2-ethoxyphenyl)-5-oxopentanoic acid
Canonical SMILES
CCOC1=CC=CC=C1C(=O)CCCC(=O)O
InChI Key
GEGKMAWTQMFHKN-UHFFFAOYSA-N
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C13H16O4.
What is the molecular weight of the compound?
The molecular weight of the compound is 236.26 g/mol.
What are some synonyms for the compound?
Some synonyms for the compound are 5-(2-ethoxyphenyl)-5-oxovaleric acid, 5-(2-ethoxyphenyl)-5-oxopentanoic acid, and MFCD02260979.
When was the compound created and last modified?
The compound was created on February 29, 2008, and last modified on December 30, 2023.
What is the InChIKey for the compound?
The InChIKey for the compound is GEGKMAWTQMFHKN-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value for the compound?
The XLogP3-AA value for the compound is 1.7.
How many rotatable bond counts does the compound have?
The compound has 7 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 63.6 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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