CAS
898791-60-1 Purity
96%
898791-60-1 Purity
96%
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7-(2-Ethoxyphenyl)-7-oxoheptanoic acid
CAS
898791-63-4
Catalog Number
ACM898791634
Category
Other Products
Molecular Weight
264.32
Molecular Formula
C15H20O4
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Specification
Synonyms
7-(2-ETHOXYPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(2-ethoxyphenyl)-7-oxoheptanoic acid
Canonical SMILES
CCOC1=CC=CC=C1C(=O)CCCCCC(=O)O
InChI Key
ZFFVWPPWEUFDQK-UHFFFAOYSA-N
Boiling Point
439.1ºC at 760 mmHg
Flash Point
160.8ºC
Density
1.107g/cm³
Exact Mass
264.13600
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C15H20O4.
What is the molecular weight of the compound?
The molecular weight of the compound is 264.32 g/mol.
What are some synonyms for the compound?
Some synonyms for the compound include 7-(2-ethoxyphenyl)-7-oxoheptanoic acid, MFCD02260981, and AKOS016022788.
What is the InChIKey of the compound?
The InChIKey of the compound is ZFFVWPPWEUFDQK-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 63.6 Å2.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
How many rotatable bond counts does the compound have?
The compound has 9 rotatable bond counts.
Is the compound considered canonicalized?
Yes, the compound is canonicalized.
When was the compound last modified?
The compound was last modified on 2023-12-30.
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