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105728-77-6 | 1H-Pyrrole-2-carboxaldehyde, 1,1'-(1,3-propanediyl)bis[3,4-diethyl-
CAS No: 105728-77-6 Catalog No: AG007FJP MDL No:
Product Description
Catalog Number:
AG007FJP
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1,1'-(1,3-propanediyl)bis[3,4-diethyl-
CAS Number:
105728-77-6
Molecular Formula:
C21H30N2O2
Molecular Weight:
342.4751
IUPAC Name:
1-[3-(3,4-diethyl-2-formylpyrrol-1-yl)propyl]-3,4-diethylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C21H30N2O2/c1-5-16-12-22(20(14-24)18(16)7-3)10-9-11-23-13-17(6-2)19(8-4)21(23)15-25/h12-15H,5-11H2,1-4H3
InChI Key:
UDMKHMSXMCGVLW-UHFFFAOYSA-N
SMILES:
CCc1cn(c(c1CC)C=O)CCCn1cc(c(c1C=O)CC)CC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.231g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.483g/mol
Monoisotopic Mass:
342.231g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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