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Home > Pyridines > 880771-34-6
880771-34-6 | 1H-Pyrrolo[2,3-b]pyridine, 3-(1,3-benzodioxol-5-yl)-2-methyl-
CAS No: 880771-34-6 Catalog No: AG004K19 MDL No:
Product Description
Catalog Number:
AG004K19
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-(1,3-benzodioxol-5-yl)-2-methyl-
CAS Number:
880771-34-6
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C15H12N2O2/c1-9-14(11-3-2-6-16-15(11)17-9)10-4-5-12-13(7-10)19-8-18-12/h2-7H,8H2,1H3,(H,16,17)
InChI Key:
FLBIIQWPWOQUBT-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(c1c1ccc3c(c1)OCO3)cccn2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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