CAS
950144-83-9 Purity
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950144-83-9 Purity
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2-((E)-But-1-enyl)-5-butyl-2,3,4-tripropyl-2H-pyrrole
CAS
950179-06-3
Catalog Number
ACM950179063
Category
Other Products
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What is the molecular formula of 2-((E)-But-1-enyl)-5-butyl-2,3,4-tripropyl-2H-pyrrole?
The molecular formula is C21H37N.
What is the molecular weight of 2-((E)-But-1-enyl)-5-butyl-2,3,4-tripropyl-2H-pyrrole?
The molecular weight is 303.5 g/mol.
What is the IUPAC name of 2-((E)-But-1-enyl)-5-butyl-2,3,4-tripropyl-2H-pyrrole?
The IUPAC name is 2-[(E)-but-1-enyl]-5-butyl-2,3,4-tripropylpyrrole.
What is the InChI of 2-((E)-But-1-enyl)-5-butyl-2,3,4-tripropyl-2H-pyrrole?
The InChI is InChI=1S/C21H37N/c1-6-11-15-20-18(13-8-3)19(14-9-4)21(22-20,16-10-5)17-12-7-2/h12,17H,6-11,13-16H2,1-5H3/b17-12+.
What is the InChIKey of 2-((E)-But-1-enyl)-5-butyl-2,3,4-tripropyl-2H-pyrrole?
The InChIKey is ATMXFLLVTBOMSU-SFQUDFHCSA-N.
What is the canonical SMILES of 2-((E)-But-1-enyl)-5-butyl-2,3,4-tripropyl-2H-pyrrole?
The canonical SMILES is CCCCC1=NC(C(=C1CCC)CCC)(CCC)C=CCC.
What is the isomeric SMILES of 2-((E)-But-1-enyl)-5-butyl-2,3,4-tripropyl-2H-pyrrole?
The isomeric SMILES is CCCCC1=NC(C(=C1CCC)CCC)(CCC)/C=C/CC.
What is the XLogP3-AA value of 2-((E)-But-1-enyl)-5-butyl-2,3,4-tripropyl-2H-pyrrole?
The XLogP3-AA value is 6.4.
What is the hydrogen bond donor count of 2-((E)-But-1-enyl)-5-butyl-2,3,4-tripropyl-2H-pyrrole?
The hydrogen bond donor count is 0.
What is the hydrogen bond acceptor count of 2-((E)-But-1-enyl)-5-butyl-2,3,4-tripropyl-2H-pyrrole?
The hydrogen bond acceptor count is 1.
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95018-39-6 Purity
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