CAS
94139-18-1 Purity
96%
94139-18-1 Purity
96%
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Ethyl 3-(2-methyl-[1,3]dioxolan-2-yl)propanoate
CAS
941-43-5
Catalog Number
ACM941435
Category
Other Products
Molecular Weight
188.22
Molecular Formula
C9H16O4
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Specification
Synonyms
2-Methyl-
IUPAC Name
ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
Canonical SMILES
CCOC(=O)CCC1(OCCO1)C
InChI Key
PLUNGZQWVYCJBJ-UHFFFAOYSA-N
Boiling Point
228.1ºC at 760mmHg
Flash Point
91.1ºC
Density
1.046g/cm³
Appearance
Colourless Oil
EC Number
213-379-4
Exact Mass
188.10500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The molecular formula is C9H16O4.
What is the molecular weight of Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The molecular weight is 188.22 g/mol.
What is the IUPAC name of Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The IUPAC name is ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate.
What is the InChI of Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The InChI is InChI=1S/C9H16O4/c1-3-11-8(10)4-5-9(2)12-6-7-13-9/h3-7H2,1-2H3.
What is the InChIKey of Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The InChIKey is PLUNGZQWVYCJBJ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate have?
It has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate have?
It has 4 hydrogen bond acceptor counts.
What is the XLogP3-AA value of Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The XLogP3-AA value is 0.6.
What is the topological polar surface area of Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The topological polar surface area is 44.8?2.
How many rotatable bond counts does Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate have?
It has 5 rotatable bond counts.
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