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67199-03-5 | 3H-Pyrido[3,4-b]indole, 4,9-dihydro-9-methyl-1-(2-phenylethenyl)-
CAS No: 67199-03-5 Catalog No: AG006K7Y MDL No:
Product Description
Catalog Number:
AG006K7Y
Chemical Name:
3H-Pyrido[3,4-b]indole, 4,9-dihydro-9-methyl-1-(2-phenylethenyl)-
CAS Number:
67199-03-5
Molecular Formula:
C20H18N2
Molecular Weight:
286.3703
IUPAC Name:
9-methyl-1-(2-phenylethenyl)-3,4-dihydropyrido[3,4-b]indole
InChI:
InChI=1S/C20H18N2/c1-22-19-10-6-5-9-16(19)17-13-14-21-18(20(17)22)12-11-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3
InChI Key:
DPOSSYBBZSRVTG-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2c2c1C(=NCC2)C=Cc1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.378g/mol
Monoisotopic Mass:
286.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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