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132726-51-3 | 1H-Pyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl-
CAS No: 132726-51-3 Catalog No: AG001127 MDL No:
Product Description
Catalog Number:
AG001127
Chemical Name:
1H-Pyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl-
CAS Number:
132726-51-3
Molecular Formula:
C18H17NO
Molecular Weight:
263.3337
IUPAC Name:
1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole
InChI:
InChI=1S/C18H17NO/c1-14-8-13-18(15-6-4-3-5-7-15)19(14)16-9-11-17(20-2)12-10-16/h3-13H,1-2H3
InChI Key:
JYVWOBGKZSYFKM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(C)ccc1c1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.34g/mol
Monoisotopic Mass:
263.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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