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144912-17-4 | 1H-Pyrrole, 1-methyl-2-(2-phenylethynyl)-
CAS No: 144912-17-4 Catalog No: AG001KD0 MDL No:
Product Description
Catalog Number:
AG001KD0
Chemical Name:
1H-Pyrrole, 1-methyl-2-(2-phenylethynyl)-
CAS Number:
144912-17-4
Molecular Formula:
C13H11N
Molecular Weight:
181.2331
IUPAC Name:
1-methyl-2-(2-phenylethynyl)pyrrole
InChI:
InChI=1S/C13H11N/c1-14-11-5-8-13(14)10-9-12-6-3-2-4-7-12/h2-8,11H,1H3
InChI Key:
AGORTRMAJCMXSR-UHFFFAOYSA-N
SMILES:
Cn1cccc1C#Cc1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.238g/mol
Monoisotopic Mass:
181.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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