CAS
944900-76-9 Purity
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944900-76-9 Purity
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Ethyl 4-cyanopyrrole-2-carboxylate
CAS
944901-09-1
Catalog Number
ACM944901091
Category
Other Products
Molecular Weight
164.161320 [g/mol]
Molecular Formula
C8H8N2O2
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Specification
Synonyms
ETHYL 4-CYANOPYRROLE-2-CARBOXYLATE, 944901-09-1, 4-Cyano-1H-pyrrole-2-carboxylic acid ethyl ester, AKOS006302917, AB57039, ETHYL 4-CYANO-1H-PYRROLE-2-CARBOXYLATE
IUPAC Name
ethyl 4-cyano-1H-pyrrole-2-carboxylate
Canonical SMILES
CCOC(=O)C1=CC(=CN1)C#N
InChI Key
CCQIGAVVCHRTER-UHFFFAOYSA-N
Exact Mass
164.05900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Ethyl 4-cyanopyrrole-2-carboxylate?
The molecular formula is C8H8N2O2.
What is the IUPAC name of Ethyl 4-cyanopyrrole-2-carboxylate?
The IUPAC name is ethyl 4-cyano-1H-pyrrole-2-carboxylate.
What is the molecular weight of Ethyl 4-cyanopyrrole-2-carboxylate?
The molecular weight is 164.16 g/mol.
What is the InChI of Ethyl 4-cyanopyrrole-2-carboxylate?
The InChI is InChI=1S/C8H8N2O2/c1-2-12-8(11)7-3-6(4-9)5-10-7/h3,5,10H,2H2,1H3.
What is the InChIKey of Ethyl 4-cyanopyrrole-2-carboxylate?
The InChIKey is CCQIGAVVCHRTER-UHFFFAOYSA-N.
What is the Canonical SMILES of Ethyl 4-cyanopyrrole-2-carboxylate?
The Canonical SMILES is CCOC(=O)C1=CC(=CN1)C#N.
What is the CAS number of Ethyl 4-cyanopyrrole-2-carboxylate?
The CAS number is 944901-09-1.
What is the European Community (EC) number of Ethyl 4-cyanopyrrole-2-carboxylate?
The European Community (EC) number is 870-405-2.
What is the DSSTox Substance ID of Ethyl 4-cyanopyrrole-2-carboxylate?
The DSSTox Substance ID is DTXSID00695137.
Is Ethyl 4-cyanopyrrole-2-carboxylate a canonicalized compound?
Yes, Ethyl 4-cyanopyrrole-2-carboxylate is a canonicalized compound.
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