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Home > Pyridines > 691870-02-7
691870-02-7 | 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carbonitrile
CAS No: 691870-02-7 Catalog No: AG00INRX MDL No:MFCD03102685
Product Description
Catalog Number:
AG00INRX
Chemical Name:
4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carbonitrile
CAS Number:
691870-02-7
Molecular Formula:
C21H14N2O3
Molecular Weight:
342.3475
MDL Number:
MFCD03102685
IUPAC Name:
4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C21H14N2O3/c1-11-15(9-22)18(12-6-7-16-17(8-12)26-10-25-16)19-20(23-11)13-4-2-3-5-14(13)21(19)24/h2-8,18,23H,10H2,1H3
InChI Key:
DLRXUTMORORTAJ-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)c1c2cccc1
Properties
Complexity:
759
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.354g/mol
Monoisotopic Mass:
342.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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