CAS
93841-14-6 Purity
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93841-14-6 Purity
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2-(2-Ethylcycloheptyl)ethyl cyanoacetate
CAS
93841-17-9
Catalog Number
ACM93841179
Category
Other Products
Molecular Weight
237.337920 [g/mol]
Molecular Formula
C14H23NO2
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Specification
Synonyms
EINECS 298-987-8, 2-(2-Ethylcycloheptyl)ethyl cyanoacetate, CID3022603, 93841-17-9
IUPAC Name
2-(2-ethylcycloheptyl)ethyl 2-cyanoacetate
Canonical SMILES
CCC1CCCCCC1CCOC(=O)CC#N
InChI Key
MWRFTVDLCGREAK-UHFFFAOYSA-N
Boiling Point
354.6ºC at 760mmHg
Flash Point
169.5ºC
Density
0.965g/cm³
EC Number
298-987-8
Exact Mass
237.17300
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
The molecular formula is C14H23NO2.
What is the molecular weight of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
The molecular weight is 237.34 g/mol.
What is the IUPAC name of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
The IUPAC name is 2-(2-ethylcycloheptyl)ethyl 2-cyanoacetate.
What is the InChI of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
The InChI is InChI=1S/C14H23NO2/c1-2-12-6-4-3-5-7-13(12)9-11-17-14(16)8-10-15/h12-13H,2-9,11H2,1H3.
What is the InChIKey of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
The InChIKey is MWRFTVDLCGREAK-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-(2-Ethylcycloheptyl)ethyl cyanoacetate have?
It has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
The XLogP3-AA value is 4.4.
How many rotatable bond counts does 2-(2-Ethylcycloheptyl)ethyl cyanoacetate have?
It has 6 rotatable bond counts.
Is 2-(2-Ethylcycloheptyl)ethyl cyanoacetate considered canonicalized?
Yes, it is considered canonicalized.
What is the topological polar surface area of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
The topological polar surface area is 50.1 Ų.
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