CAS
898791-37-2 Purity
96%
898791-37-2 Purity
96%
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4-Carboethoxyphenyl cyclopentyl ketone
CAS
898791-40-7
Catalog Number
ACM898791407
Category
Other Products
Molecular Weight
246.3
Molecular Formula
C15H18O3
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Specification
Synonyms
4-CARBOETHOXYPHENYL CYCLOPENTYL KETONE
IUPAC Name
ethyl 4-(cyclopentanecarbonyl)benzoate
Canonical SMILES
CCOC(=O)C1=CC=C(C=C1)C(=O)C2CCCC2
InChI Key
XRXNMNKZFZUISU-UHFFFAOYSA-N
Boiling Point
383.3ºC at 760 mmHg
Flash Point
169.3ºC
Density
1.118g/cm³
Exact Mass
246.12600
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 4-Carboethoxyphenyl cyclopentyl ketone?
The molecular formula of 4-Carboethoxyphenyl cyclopentyl ketone is C15H18O3.
When was PubChem CID 24724161 created and last modified?
PubChem CID 24724161 was created on February 29, 2008, and last modified on December 30, 2023.
What is the IUPAC name of 4-Carboethoxyphenyl cyclopentyl ketone?
The IUPAC name of 4-Carboethoxyphenyl cyclopentyl ketone is ethyl 4-(cyclopentanecarbonyl)benzoate.
What is the InChI of 4-Carboethoxyphenyl cyclopentyl ketone?
The InChI of 4-Carboethoxyphenyl cyclopentyl ketone is InChI=1S/C15H18O3/c1-2-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-4-6-11/h7-11H,2-6H2,1H3.
What is the molecular weight of 4-Carboethoxyphenyl cyclopentyl ketone?
The molecular weight of 4-Carboethoxyphenyl cyclopentyl ketone is 246.30 g/mol.
What is the Canonical SMILES of 4-Carboethoxyphenyl cyclopentyl ketone?
The Canonical SMILES of 4-Carboethoxyphenyl cyclopentyl ketone is CCOC(=O)C1=CC=C(C=C1)C(=O)C2CCCC2.
What is the CAS number of 4-Carboethoxyphenyl cyclopentyl ketone?
The CAS number of 4-Carboethoxyphenyl cyclopentyl ketone is 898791-40-7.
How many hydrogen bond acceptor counts are there in 4-Carboethoxyphenyl cyclopentyl ketone?
There are 3 hydrogen bond acceptor counts in 4-Carboethoxyphenyl cyclopentyl ketone.
What is the topological polar surface area of 4-Carboethoxyphenyl cyclopentyl ketone?
The topological polar surface area of 4-Carboethoxyphenyl cyclopentyl ketone is 43.4 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound 4-Carboethoxyphenyl cyclopentyl ketone is canonicalized in PubChem.
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