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189567-70-2 | 1H-Pyrrole, 2,2'-[(2,6-dimethoxyphenyl)methylene]bis[3,4-dimethyl-
CAS No: 189567-70-2 Catalog No: AG002DQI MDL No:
Product Description
Catalog Number:
AG002DQI
Chemical Name:
1H-Pyrrole, 2,2'-[(2,6-dimethoxyphenyl)methylene]bis[3,4-dimethyl-
CAS Number:
189567-70-2
Molecular Formula:
C21H26N2O2
Molecular Weight:
338.4433
IUPAC Name:
2-[(2,6-dimethoxyphenyl)-(3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole
InChI:
InChI=1S/C21H26N2O2/c1-12-10-22-20(14(12)3)19(21-15(4)13(2)11-23-21)18-16(24-5)8-7-9-17(18)25-6/h7-11,19,22-23H,1-6H3
InChI Key:
SBMXRHVJFRZIFH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(c1[nH]cc(c1C)C)c1[nH]cc(c1C)C)OC
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.199g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.451g/mol
Monoisotopic Mass:
338.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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