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79892-13-0 | 1H-Pyrrole, 1-ethenyl-3-methyl-2-(2-thienyl)-
CAS No: 79892-13-0 Catalog No: AG004ZE1 MDL No:
Product Description
Catalog Number:
AG004ZE1
Chemical Name:
1H-Pyrrole, 1-ethenyl-3-methyl-2-(2-thienyl)-
CAS Number:
79892-13-0
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
IUPAC Name:
1-ethenyl-3-methyl-2-thiophen-2-ylpyrrole
InChI:
InChI=1S/C11H11NS/c1-3-12-7-6-9(2)11(12)10-5-4-8-13-10/h3-8H,1H2,2H3
InChI Key:
ZBYDROFXYLPUEW-UHFFFAOYSA-N
SMILES:
C=Cn1ccc(c1c1cccs1)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.276g/mol
Monoisotopic Mass:
189.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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