CAS
94133-56-9 Purity
96%
94133-56-9 Purity
96%
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Alpha-ethyl 3-carboxy-1-methyl-1H-pyrrole-2-acetate
CAS
94133-60-5
Catalog Number
ACM94133605
Category
Other Products
Molecular Weight
210.206580 [g/mol]
Molecular Formula
C10H13NO4
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Specification
Synonyms
94133-60-5, alpha-ethyl3-carboxy-1-methyl-1H-pyrrole-2-acetate
IUPAC Name
2-(3-carboxy-1-methylpyrrol-2-yl)butanoate
InChI Key
JDOLHIYLZCMCCM-UHFFFAOYSA-M
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Alpha-ethyl 3-carboxy-1-methyl-1H-pyrrole-2-acetate?
The molecular formula is C10H13NO4.
When was Alpha-ethyl 3-carboxy-1-methyl-1H-pyrrole-2-acetate created in PubChem?
It was created on August 20, 2009.
What is the IUPAC name of Alpha-ethyl 3-carboxy-1-methyl-1H-pyrrole-2-acetate?
The IUPAC name is 2-(1-carboxypropyl)-1-methylpyrrole-3-carboxylic acid.
What is the InChIKey of Alpha-ethyl 3-carboxy-1-methyl-1H-pyrrole-2-acetate?
The InChIKey is JDOLHIYLZCMCCM-UHFFFAOYSA-N.
What is the Canonical SMILES of Alpha-ethyl 3-carboxy-1-methyl-1H-pyrrole-2-acetate?
The Canonical SMILES is CCC(C1=C(C=CN1C)C(=O)O)C(=O)O.
What is the CAS number of Alpha-ethyl 3-carboxy-1-methyl-1H-pyrrole-2-acetate?
The CAS number is 94133-60-5.
What is the XLogP3-AA value of Alpha-ethyl 3-carboxy-1-methyl-1H-pyrrole-2-acetate?
The XLogP3-AA value is 0.6.
How many hydrogen bond donor counts does Alpha-ethyl 3-carboxy-1-methyl-1H-pyrrole-2-acetate have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of Alpha-ethyl 3-carboxy-1-methyl-1H-pyrrole-2-acetate?
The topological polar surface area is 79.5 2.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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