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96%
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Sodium N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramidate
CAS
93964-26-2
Catalog Number
ACM93964262
Category
Other Products
Molecular Weight
323.661610 [g/mol]
Molecular Formula
C12H13ClNO4Na
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Specification
Synonyms
EINECS 300-875-1, Sodium N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramidate, 93964-26-2
IUPAC Name
sodium 4-(4-chloro-2,5-dimethoxyanilino)-2,4-dioxobutanoate
Canonical SMILES
COC1=CC(=C(C=C1NC(=O)CC(=O)C(=O)[O-])OC)Cl.[Na+]
InChI Key
HWCTZRUQTLURIV-UHFFFAOYSA-M
EC Number
300-875-1
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of Sodium N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramidate?
The molecular formula is C12H11ClNNaO6.
When was Sodium N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramidate created and last modified?
It was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC Name of Sodium N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramidate?
The IUPAC name is sodium;4-(4-chloro-2,5-dimethoxyanilino)-2,4-dioxobutanoate.
What is the InChIKey of Sodium N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramidate?
The InChIKey is HWCTZRUQTLURIV-UHFFFAOYSA-M.
What is the Canonical SMILES of Sodium N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramidate?
The Canonical SMILES is COC1=CC(=C(C=C1NC(=O)CC(=O)C(=O)[O-])OC)Cl.[Na+].
What is the molecular weight of Sodium N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramidate?
The molecular weight is 323.66 g/mol.
How many hydrogen bond donor counts does Sodium N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramidate have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Sodium N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramidate have?
It has 6 hydrogen bond acceptor counts.
What is the topological polar surface area of Sodium N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramidate?
The topological polar surface area is 105 2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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