CAS
92350-26-0 Purity
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92350-26-0 Purity
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2-Ethoxy-2-oxoethyl butyrate
CAS
92351-77-4
Catalog Number
ACM92351774
Category
Other Products
Molecular Weight
174.194360 [g/mol]
Molecular Formula
C8H14O4
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Specification
Synonyms
2-Ethoxy-2-oxoethyl butyrate, EINECS 296-228-5, Butanoic acid, 2-ethoxy-2-oxoethyl ester, 92351-77-4
IUPAC Name
(2-ethoxy-2-oxoethyl) butanoate
Canonical SMILES
CCCC(=O)OCC(=O)OCC
InChI Key
KNDOPHVKTCRRPG-UHFFFAOYSA-N
Boiling Point
252.6ºC at 760 mmHg
Flash Point
105.6ºC
Density
1.036g/cm³
EC Number
296-228-5
Exact Mass
174.08900
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 2-Ethoxy-2-oxoethyl butyrate?
The molecular formula of 2-Ethoxy-2-oxoethyl butyrate is C8H14O4.
What is the molecular weight of 2-Ethoxy-2-oxoethyl butyrate?
The molecular weight of 2-Ethoxy-2-oxoethyl butyrate is 174.19 g/mol.
What is the IUPAC name of 2-Ethoxy-2-oxoethyl butyrate?
The IUPAC name of 2-Ethoxy-2-oxoethyl butyrate is (2-ethoxy-2-oxoethyl) butanoate.
What is the InChIKey of 2-Ethoxy-2-oxoethyl butyrate?
The InChIKey of 2-Ethoxy-2-oxoethyl butyrate is KNDOPHVKTCRRPG-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 2-Ethoxy-2-oxoethyl butyrate?
There are 0 hydrogen bond donor counts in 2-Ethoxy-2-oxoethyl butyrate.
What is the XLogP3-AA value of 2-Ethoxy-2-oxoethyl butyrate?
The XLogP3-AA value of 2-Ethoxy-2-oxoethyl butyrate is 1.2.
What is the exact mass of 2-Ethoxy-2-oxoethyl butyrate?
The exact mass of 2-Ethoxy-2-oxoethyl butyrate is 174.08920892 g/mol.
How many rotatable bond counts are there in 2-Ethoxy-2-oxoethyl butyrate?
There are 7 rotatable bond counts in 2-Ethoxy-2-oxoethyl butyrate.
Is 2-Ethoxy-2-oxoethyl butyrate a canonicalized compound?
Yes, 2-Ethoxy-2-oxoethyl butyrate is a canonicalized compound.
What is the topological polar surface area of 2-Ethoxy-2-oxoethyl butyrate?
The topological polar surface area of 2-Ethoxy-2-oxoethyl butyrate is 52.6 Ų.
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