CAS
898792-14-8 Purity
96%
898792-14-8 Purity
96%
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2-Carboethoxyphenyl cyclohexyl ketone
CAS
898792-17-1
Catalog Number
ACM898792171
Category
Other Products
Molecular Weight
260.33
Molecular Formula
C16H20O3
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Specification
Synonyms
2-CARBOETHOXYPHENYL CYCLOHEXYL KETONE
IUPAC Name
ethyl 2-(cyclohexanecarbonyl)benzoate
Canonical SMILES
CCOC(=O)C1=CC=CC=C1C(=O)C2CCCCC2
InChI Key
YSGGWYZJNCJPAH-UHFFFAOYSA-N
Boiling Point
390.8ºC at 760 mmHg
Flash Point
171.8ºC
Density
1.094g/cm³
Exact Mass
260.14100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-Carboethoxyphenyl cyclohexyl ketone?
The molecular formula of 2-Carboethoxyphenyl cyclohexyl ketone is C16H20O3.
When was 2-Carboethoxyphenyl cyclohexyl ketone created and last modified in PubChem?
2-Carboethoxyphenyl cyclohexyl ketone was created on December 5, 2007, and last modified on December 30, 2023.
What is the IUPAC name of 2-Carboethoxyphenyl cyclohexyl ketone?
The IUPAC name of 2-Carboethoxyphenyl cyclohexyl ketone is ethyl 2-(cyclohexanecarbonyl)benzoate.
What is the InChI of 2-Carboethoxyphenyl cyclohexyl ketone?
The InChI of 2-Carboethoxyphenyl cyclohexyl ketone is InChI=1S/C16H20O3/c1-2-19-16(18)14-11-7-6-10-13(14)15(17)12-8-4-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3.
What is the InChIKey of 2-Carboethoxyphenyl cyclohexyl ketone?
The InChIKey of 2-Carboethoxyphenyl cyclohexyl ketone is YSGGWYZJNCJPAH-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Carboethoxyphenyl cyclohexyl ketone?
The Canonical SMILES of 2-Carboethoxyphenyl cyclohexyl ketone is CCOC(=O)C1=CC=CC=C1C(=O)C2CCCCC2.
What is the molecular weight of 2-Carboethoxyphenyl cyclohexyl ketone?
The molecular weight of 2-Carboethoxyphenyl cyclohexyl ketone is 260.33 g/mol.
How many hydrogen bond acceptors are there in 2-Carboethoxyphenyl cyclohexyl ketone?
There are 3 hydrogen bond acceptors in 2-Carboethoxyphenyl cyclohexyl ketone.
What is the topological polar surface area of 2-Carboethoxyphenyl cyclohexyl ketone?
The topological polar surface area of 2-Carboethoxyphenyl cyclohexyl ketone is 43.4 Ų.
Is 2-Carboethoxyphenyl cyclohexyl ketone considered as a canonicalized compound in PubChem?
Yes, 2-Carboethoxyphenyl cyclohexyl ketone is considered as a canonicalized compound in PubChem.
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