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878801-85-5 | Quinoline, 4-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-
CAS No: 878801-85-5 Catalog No: AG004FXN MDL No:
Product Description
Catalog Number:
AG004FXN
Chemical Name:
Quinoline, 4-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-
CAS Number:
878801-85-5
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
4-[2-(3,4-dimethoxyphenyl)ethenyl]quinoline
InChI:
InChI=1S/C19H17NO2/c1-21-18-10-8-14(13-19(18)22-2)7-9-15-11-12-20-17-6-4-3-5-16(15)17/h3-13H,1-2H3
InChI Key:
NFGZBGNIUGXLOT-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/c2ccnc3c2cccc3)ccc1OC
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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