CAS
97054-47-2 Purity
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97054-47-2 Purity
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4,4-Dichloro-3-(dichloromethyl)crotonic acid methyl ester
CAS
97055-33-9
Catalog Number
ACM97055339
Category
Other Products
Molecular Weight
251.92
Molecular Formula
C6H6Cl4O2
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Specification
Synonyms
2,4,4-Dichloro-3-(dichloromethyl)-2-butenoic Acid Methyl Ester; Methyl 2,4,4-Dichloro-3-(dichloromethyl)crotonate;
IUPAC Name
methyl 4,4-dichloro-3-(dichloromethyl)but-2-enoate
Canonical SMILES
COC(=O)C=C(C(Cl)Cl)C(Cl)Cl
InChI Key
SDAXPQBGRAUIBB-UHFFFAOYSA-N
Appearance
White Solid
Exact Mass
249.91200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4,4-Dichloro-3-(dichloromethyl)crotonic acid methyl ester?
The molecular formula is C6H6Cl4O2.
When was 4,4-Dichloro-3-(dichloromethyl)crotonic acid methyl ester created and last modified?
It was created on March 27, 2005, and last modified on December 30, 2023.
What is the IUPAC name of 4,4-Dichloro-3-(dichloromethyl)crotonic acid methyl ester?
The IUPAC name is methyl 4,4-dichloro-3-(dichloromethyl)but-2-enoate.
What is the InChIKey of 4,4-Dichloro-3-(dichloromethyl)crotonic acid methyl ester?
The InChIKey is SDAXPQBGRAUIBB-UHFFFAOYSA-N.
How many hydrogen bond acceptors are present in 4,4-Dichloro-3-(dichloromethyl)crotonic acid methyl ester?
There are 2 hydrogen bond acceptors.
What is the exact mass of 4,4-Dichloro-3-(dichloromethyl)crotonic acid methyl ester?
The exact mass is 251.909240 g/mol.
How many rotatable bond counts are in 4,4-Dichloro-3-(dichloromethyl)crotonic acid methyl ester?
There are 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of 4,4-Dichloro-3-(dichloromethyl)crotonic acid methyl ester?
The topological polar surface area is 26.3 Ų.
How many heavy atoms are present in 4,4-Dichloro-3-(dichloromethyl)crotonic acid methyl ester?
There are 12 heavy atoms present.
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