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825629-69-4 | 1H-Pyrrole, 3,4-dimethyl-2,5-bis(4-methylphenyl)-
CAS No: 825629-69-4 Catalog No: AG0053OC MDL No:
Product Description
Catalog Number:
AG0053OC
Chemical Name:
1H-Pyrrole, 3,4-dimethyl-2,5-bis(4-methylphenyl)-
CAS Number:
825629-69-4
Molecular Formula:
C20H21N
Molecular Weight:
275.3874
IUPAC Name:
3,4-dimethyl-2,5-bis(4-methylphenyl)-1H-pyrrole
InChI:
InChI=1S/C20H21N/c1-13-5-9-17(10-6-13)19-15(3)16(4)20(21-19)18-11-7-14(2)8-12-18/h5-12,21H,1-4H3
InChI Key:
UIGDTCJNHBLKSZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1[nH]c(c(c1C)C)c1ccc(cc1)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.395g/mol
Monoisotopic Mass:
275.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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