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102705-35-1 | 2H-Pyrrole, 5-[1,1'-biphenyl]-4-yl-3,4-dihydro-
CAS No: 102705-35-1 Catalog No: AG000862 MDL No:MFCD09749691
Product Description
Catalog Number:
AG000862
Chemical Name:
2H-Pyrrole, 5-[1,1'-biphenyl]-4-yl-3,4-dihydro-
CAS Number:
102705-35-1
Molecular Formula:
C16H15N
Molecular Weight:
221.2970
MDL Number:
MFCD09749691
IUPAC Name:
5-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrrole
InChI:
InChI=1S/C13H17NO3/c1-15-11-7-9(10-5-4-6-14-10)8-12(16-2)13(11)17-3/h7-8H,4-6H2,1-3H3
InChI Key:
VQDXQEIAFVSUHV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)C1=NCCC1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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