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102012-17-9 | 2H-Pyrrole, 3,4-dihydro-2-methyl-5-(1-methylethenyl)-4,4-diphenyl-
CAS No: 102012-17-9 Catalog No: AG0006BE MDL No:
Product Description
Catalog Number:
AG0006BE
Chemical Name:
2H-Pyrrole, 3,4-dihydro-2-methyl-5-(1-methylethenyl)-4,4-diphenyl-
CAS Number:
102012-17-9
Molecular Formula:
C20H21N
Molecular Weight:
275.3874
IUPAC Name:
2-methyl-4,4-diphenyl-5-prop-1-en-2-yl-2,3-dihydropyrrole
InChI:
InChI=1S/C20H21N/c1-15(2)19-20(14-16(3)21-19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,1,14H2,2-3H3
InChI Key:
YTOCLCKHYVUOHF-UHFFFAOYSA-N
SMILES:
CC1N=C(C(C1)(c1ccccc1)c1ccccc1)C(=C)C
Properties
Complexity:
390
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:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.395g/mol
Monoisotopic Mass:
275.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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