CAS
898791-68-9 Purity
96%
898791-68-9 Purity
96%
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8-(4-Ethoxyphenyl)-8-oxooctanoic acid
CAS
898791-71-4
Catalog Number
ACM898791714
Category
Other Products
Molecular Weight
278.34
Molecular Formula
C16H22O4
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Specification
Synonyms
8-(4-ETHOXYPHENYL)-8-OXOOCTANOIC ACID
IUPAC Name
8-(4-ethoxyphenyl)-8-oxooctanoic acid
Canonical SMILES
CCOC1=CC=C(C=C1)C(=O)CCCCCCC(=O)O
InChI Key
QVAGLYGPTOYQLX-UHFFFAOYSA-N
Boiling Point
464.2ºC at 760 mmHg
Flash Point
168.2ºC
Density
1.09g/cm³
Exact Mass
278.15200
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 8-(4-Ethoxyphenyl)-8-oxooctanoic acid?
The molecular formula is C16H22O4.
When was the structure of 8-(4-Ethoxyphenyl)-8-oxooctanoic acid created?
The structure was created on February 29, 2008.
What is the molecular weight of 8-(4-Ethoxyphenyl)-8-oxooctanoic acid?
The molecular weight is 278.34 g/mol.
How is the IUPAC name of 8-(4-Ethoxyphenyl)-8-oxooctanoic acid computed?
The IUPAC name is computed by Lexichem TK 2.7.0.
What is the InChIKey of 8-(4-Ethoxyphenyl)-8-oxooctanoic acid?
The InChIKey is QVAGLYGPTOYQLX-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 8-(4-Ethoxyphenyl)-8-oxooctanoic acid?
There is 1 hydrogen bond donor count.
What is the XLogP3-AA value of 8-(4-Ethoxyphenyl)-8-oxooctanoic acid?
The XLogP3-AA value is 3.2.
How many rotatable bond counts are there in 8-(4-Ethoxyphenyl)-8-oxooctanoic acid?
There are 10 rotatable bond counts.
What is the topological polar surface area of 8-(4-Ethoxyphenyl)-8-oxooctanoic acid?
The topological polar surface area is 63.6 Å2.
Is the compound of 8-(4-Ethoxyphenyl)-8-oxooctanoic acid canonicalized?
Yes, the compound is canonicalized.
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