CAS
97334-72-0 Purity
96%
97334-72-0 Purity
96%
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3,4-Diethyl-2-carboethoxy-1H-pyrrole
CAS
97336-41-9
Catalog Number
ACM97336419
Category
Other Products
Molecular Weight
195.26
Molecular Formula
C11H17NO2
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Specification
Synonyms
3,4-Diethyl-2-carboethoxy-1H-pyrrole;3,4-Diethyl-1H-pyrrole-2-carboxylic acid
What is the molecular formula of 3,4-Diethyl-2-carboethoxy-1H-pyrrole?
The molecular formula is C11H17NO2.
What is the molecular weight of 3,4-Diethyl-2-carboethoxy-1H-pyrrole?
The molecular weight is 195.26 g/mol.
What is the IUPAC name of 3,4-Diethyl-2-carboethoxy-1H-pyrrole?
The IUPAC name is ethyl 3,4-diethyl-1H-pyrrole-2-carboxylate.
What is the InChI of 3,4-Diethyl-2-carboethoxy-1H-pyrrole?
The InChI is InChI=1S/C11H17NO2/c1-4-8-7-12-10(9(8)5-2)11(13)14-6-3/h7,12H,4-6H2,1-3H3.
What is the InChIKey of 3,4-Diethyl-2-carboethoxy-1H-pyrrole?
The InChIKey is MKUZPHYOCYYXJA-UHFFFAOYSA-N.
What is the Canonical SMILES of 3,4-Diethyl-2-carboethoxy-1H-pyrrole?
The Canonical SMILES is CCC1=CNC(=C1CC)C(=O)OCC.
How many hydrogen bond donor counts does 3,4-Diethyl-2-carboethoxy-1H-pyrrole have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of 3,4-Diethyl-2-carboethoxy-1H-pyrrole?
The XLogP3-AA value is 2.9.
How many rotatable bonds does 3,4-Diethyl-2-carboethoxy-1H-pyrrole have?
It has 5 rotatable bonds.
Is 3,4-Diethyl-2-carboethoxy-1H-pyrrole a canonicalized compound?
Yes, it is a canonicalized compound.
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