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Home > Pyridines > 439108-64-2
439108-64-2 | 4-(4-heptylphenyl)-2-methyl-5-oxo-5H-indeno[1,2-b]pyridine-3-carbonitrile
CAS No: 439108-64-2 Catalog No: AG00IY9K MDL No:MFCD03012571
Product Description
Catalog Number:
AG00IY9K
Chemical Name:
4-(4-heptylphenyl)-2-methyl-5-oxo-5H-indeno[1,2-b]pyridine-3-carbonitrile
CAS Number:
439108-64-2
Molecular Formula:
C27H26N2O
Molecular Weight:
394.5081
MDL Number:
MFCD03012571
IUPAC Name:
4-(4-heptylphenyl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C27H26N2O/c1-3-4-5-6-7-10-19-13-15-20(16-14-19)24-23(17-28)18(2)29-26-21-11-8-9-12-22(21)27(30)25(24)26/h8-9,11-16H,3-7,10H2,1-2H3
InChI Key:
UXIFKMQPIPBQDC-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)c1c(C#N)c(C)nc2c1C(=O)c1c2cccc1
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.205g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.518g/mol
Monoisotopic Mass:
394.205g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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