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88054-90-4 | 1H-Pyrrole, 2-(4-ethylphenyl)-
CAS No: 88054-90-4 Catalog No: AG004LO7 MDL No:
Product Description
Catalog Number:
AG004LO7
Chemical Name:
1H-Pyrrole, 2-(4-ethylphenyl)-
CAS Number:
88054-90-4
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
2-(4-ethylphenyl)-1H-pyrrole
InChI:
InChI=1S/C12H13N/c1-2-10-5-7-11(8-6-10)12-4-3-9-13-12/h3-9,13H,2H2,1H3
InChI Key:
DHXVHLYAYLVDIU-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1ccc[nH]1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.243g/mol
Monoisotopic Mass:
171.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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