CAS
898790-49-3 Purity
96%
898790-49-3 Purity
96%
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2-Carboethoxyphenyl cyclobutyl ketone
CAS
898790-52-8
Catalog Number
ACM898790528
Category
Other Products
Molecular Weight
232.28182
Molecular Formula
C14H16O3
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Specification
Synonyms
2-Carboethoxyphenyl cyclobutyl ketone, 898790-52-8, CTK5G6715, AKOS016019971, AG-H-67009, KB-169218
IUPAC Name
ethyl 2-(cyclobutanecarbonyl)benzoate
Canonical SMILES
CCOC(=O)C1=CC=CC=C1C(=O)C2CCC2
InChI Key
QCTFLWVWPZRPSP-UHFFFAOYSA-N
Boiling Point
359.9ºC at 760 mmHg
Flash Point
158.8ºC
Density
1.147g/cm³
Exact Mass
232.11000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-Carboethoxyphenyl cyclobutyl ketone?
The molecular formula is C14H16O3.
When was 2-Carboethoxyphenyl cyclobutyl ketone created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of 2-Carboethoxyphenyl cyclobutyl ketone?
The IUPAC name is ethyl 2-(cyclobutanecarbonyl)benzoate.
What is the InChI of 2-Carboethoxyphenyl cyclobutyl ketone?
The InChI is InChI=1S/C14H16O3/c1-2-17-14(16)12-9-4-3-8-11(12)13(15)10-6-5-7-10/h3-4,8-10H,2,5-7H2,1H3.
What is the InChIKey of 2-Carboethoxyphenyl cyclobutyl ketone?
The InChIKey is QCTFLWVWPZRPSP-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Carboethoxyphenyl cyclobutyl ketone?
The canonical SMILES is CCOC(=O)C1=CC=CC=C1C(=O)C2CCC2.
What is the molecular weight of 2-Carboethoxyphenyl cyclobutyl ketone?
The molecular weight is 232.27 g/mol.
What is the XLogP3-AA value of 2-Carboethoxyphenyl cyclobutyl ketone?
The XLogP3-AA value is 2.8.
How many hydrogen bond acceptors are present in 2-Carboethoxyphenyl cyclobutyl ketone?
There are 3 hydrogen bond acceptors.
Is 2-Carboethoxyphenyl cyclobutyl ketone a canonicalized compound?
Yes, it is a canonicalized compound.
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