CAS
93870-41-8 Purity
96%
93870-41-8 Purity
96%
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1H-Pyrrole-2-carboxylicacid, 3,4-dimethyl-, ethyl ester
CAS
938-75-0
Catalog Number
ACM938750
Category
Other Products
Molecular Weight
167.21
Molecular Formula
C9H13 N O2
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Specification
Synonyms
RARECHEM AS SA 0068;3,4-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER;ETHYL 3,4-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE
What is the molecular formula of ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is C9H13NO2.
What is the IUPAC name of the compound?
The IUPAC name of the compound is ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H13NO2/c1-4-12-9(11)8-7(3)6(2)5-10-8/h5,10H,4H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey of the compound is XUIPYRXOVPTMHC-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOC(=O)C1=C(C(=CN1)C)C.
What is the molecular weight of the compound?
The molecular weight of the compound is 167.20 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 2 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 3 rotatable bond count.
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