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2859-51-0 | Quinoline, 4-[2-(3,4-diethoxyphenyl)ethenyl]-
CAS No: 2859-51-0 Catalog No: AG002VRX MDL No:
Product Description
Catalog Number:
AG002VRX
Chemical Name:
Quinoline, 4-[2-(3,4-diethoxyphenyl)ethenyl]-
CAS Number:
2859-51-0
Molecular Formula:
C21H21NO2
Molecular Weight:
319.3969
IUPAC Name:
4-[2-(3,4-diethoxyphenyl)ethenyl]quinoline
InChI:
InChI=1S/C21H21NO2/c1-3-23-20-12-10-16(15-21(20)24-4-2)9-11-17-13-14-22-19-8-6-5-7-18(17)19/h5-15H,3-4H2,1-2H3
InChI Key:
ZWRCEPPNYROZCA-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=Cc2ccnc3c2cccc3)ccc1OCC
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.157g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.404g/mol
Monoisotopic Mass:
319.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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