CAS
99332-96-4 Purity
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99332-96-4 Purity
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Ethyl 3-(4-chlorophenyl)-2-oxopropanoate, tech
CAS
99334-10-8
Catalog Number
ACM99334108
Category
Other Products
Molecular Weight
226.66
Molecular Formula
O(C(=O)C(=O)Cc1ccc(cc1)Cl)CC
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Specification
Synonyms
Ethyl 3-(4-chlorophenyl)pyruvate
IUPAC Name
ethyl 3-(4-chlorophenyl)-2-oxopropanoate
Canonical SMILES
CCOC(=O)C(=O)CC1=CC=C(C=C1)Cl
InChI Key
SSYWONPQBLHLSL-UHFFFAOYSA-N
Exact Mass
226.04000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of ethyl 3-(4-chlorophenyl)-2-oxopropanoate?
The molecular formula is C11H11ClO3.
When was ethyl 3-(4-chlorophenyl)-2-oxopropanoate first created?
It was first created on July 19, 2005.
What is the IUPAC name of ethyl 3-(4-chlorophenyl)-2-oxopropanoate?
The IUPAC name is ethyl 3-(4-chlorophenyl)-2-oxopropanoate.
What is the InChI key of ethyl 3-(4-chlorophenyl)-2-oxopropanoate?
The InChI key is SSYWONPQBLHLSL-UHFFFAOYSA-N.
What is the canonical SMILES representation of ethyl 3-(4-chlorophenyl)-2-oxopropanoate?
The canonical SMILES representation is CCOC(=O)C(=O)CC1=CC=C(C=C1)Cl.
What is the molecular weight of ethyl 3-(4-chlorophenyl)-2-oxopropanoate?
The molecular weight is 226.65 g/mol.
How many hydrogen bond donor counts does ethyl 3-(4-chlorophenyl)-2-oxopropanoate have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of ethyl 3-(4-chlorophenyl)-2-oxopropanoate?
The topological polar surface area is 43.4 Ų.
How many rotatable bond counts does ethyl 3-(4-chlorophenyl)-2-oxopropanoate have?
It has 5 rotatable bond counts.
Is ethyl 3-(4-chlorophenyl)-2-oxopropanoate a canonicalized compound?
Yes, it is a canonicalized compound.
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CAS
99337-10-7 Purity
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99337-10-7 Purity
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