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78371-22-9 | 2H-Pyrrole, 3,4-dihydro-2,2-dimethyl-4,5-diphenyl-
CAS No: 78371-22-9 Catalog No: AG005BEV MDL No:
Product Description
Catalog Number:
AG005BEV
Chemical Name:
2H-Pyrrole, 3,4-dihydro-2,2-dimethyl-4,5-diphenyl-
CAS Number:
78371-22-9
Molecular Formula:
C18H19N
Molecular Weight:
249.3502
IUPAC Name:
2,2-dimethyl-4,5-diphenyl-3,4-dihydropyrrole
InChI:
InChI=1S/C18H19N/c1-18(2)13-16(14-9-5-3-6-10-14)17(19-18)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChI Key:
BTFDYFADENPUFG-UHFFFAOYSA-N
SMILES:
CC1(C)CC(C(=N1)c1ccccc1)c1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.357g/mol
Monoisotopic Mass:
249.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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