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99435-40-2 | Benzo[f]quinoline, 1-(3-butenyl)-3-(4-methoxyphenyl)-
CAS No: 99435-40-2 Catalog No: AG006O57 MDL No:
Product Description
Catalog Number:
AG006O57
Chemical Name:
Benzo[f]quinoline, 1-(3-butenyl)-3-(4-methoxyphenyl)-
CAS Number:
99435-40-2
Molecular Formula:
C24H21NO
Molecular Weight:
339.4296
IUPAC Name:
1-but-3-enyl-3-(4-methoxyphenyl)benzo[f]quinoline
InChI:
InChI=1S/C24H21NO/c1-3-4-7-19-16-23(18-10-13-20(26-2)14-11-18)25-22-15-12-17-8-5-6-9-21(17)24(19)22/h3,5-6,8-16H,1,4,7H2,2H3
InChI Key:
VOHQPBPAXSELLW-UHFFFAOYSA-N
SMILES:
C=CCCc1cc(nc2c1c1ccccc1cc2)c1ccc(cc1)OC
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.162g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.438g/mol
Monoisotopic Mass:
339.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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