CAS
9057-01-6 Purity
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9057-01-6 Purity
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Ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate
CAS
905706-74-3
Catalog Number
ACM905706743
Category
Other Products
Molecular Weight
325.423120 [g/mol]
Molecular Formula
C16H23NO4S
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Specification
Synonyms
ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate, 905706-74-3, PubChem19587, AGN-PC-0CJ24K, SureCN5142359, RL05699, AK132774, KB-51336, ethyl 5,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
IUPAC Name
ethyl 5,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
InChI Key
KBTGDSPBENVRLB-UHFFFAOYSA-N
Exact Mass
325.13500
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate?
The molecular formula is C16H23NO4S.
What is the molecular weight of ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate?
The molecular weight is 325.4 g/mol.
What is the IUPAC name of ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate?
The IUPAC name is ethyl 5,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate.
What is the InChI of ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate?
The InChI is InChI=1S/C16H23NO4S/c1-5-21-15(18)14-10-11-16(3,4)17(14)22(19,20)13-8-6-12(2)7-9-13/h6-9,14H,5,10-11H2,1-4H3.
What is the InChIKey of ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate?
The InChIKey is KBTGDSPBENVRLB-UHFFFAOYSA-N.
What is the canonical SMILES of ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate?
The canonical SMILES is CCOC(=O)C1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)(C)C.
What is the XLogP3-AA of ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate?
The XLogP3-AA is 2.9.
How many hydrogen bond donor counts does ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate have?
It has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does ethyl 5,5-dimethyl-1-tosylpyrrolidine-2-carboxylate have?
It has 5 rotatable bond counts.
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