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129993-24-4 | 1H-Pyrrole, 2-(2,5-dimethylphenyl)-1-ethenyl-
CAS No: 129993-24-4 Catalog No: AG000TUI MDL No:
Product Description
Catalog Number:
AG000TUI
Chemical Name:
1H-Pyrrole, 2-(2,5-dimethylphenyl)-1-ethenyl-
CAS Number:
129993-24-4
Molecular Formula:
C14H15N
Molecular Weight:
197.2756
IUPAC Name:
2-(2,5-dimethylphenyl)-1-ethenylpyrrole
InChI:
InChI=1S/C14H15N/c1-4-15-9-5-6-14(15)13-10-11(2)7-8-12(13)3/h4-10H,1H2,2-3H3
InChI Key:
MMHSIMJLWUPTCD-UHFFFAOYSA-N
SMILES:
C=Cn1cccc1c1cc(C)ccc1C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.281g/mol
Monoisotopic Mass:
197.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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