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75535-23-8 | 4H-1-Benzopyran-4-one, 3-((1-ethyl-1,2,3,4-tetrahydro-6-quinolinyl)methylene)-2,3-dihydro-
CAS No: 75535-23-8 Catalog No: AG005WVB MDL No:
Product Description
Catalog Number:
AG005WVB
Chemical Name:
4H-1-Benzopyran-4-one, 3-((1-ethyl-1,2,3,4-tetrahydro-6-quinolinyl)methylene)-2,3-dihydro-
CAS Number:
75535-23-8
Molecular Formula:
C21H21NO2
Molecular Weight:
319.3969
IUPAC Name:
3-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]chromen-4-one
InChI:
InChI=1S/C21H21NO2/c1-2-22-11-5-6-16-12-15(9-10-19(16)22)13-17-14-24-20-8-4-3-7-18(20)21(17)23/h3-4,7-10,12-13H,2,5-6,11,14H2,1H3
InChI Key:
FSVYQLFYLOIGTE-UHFFFAOYSA-N
SMILES:
CCN1CCCc2c1ccc(c2)C=C1COc2c(C1=O)cccc2
EC Number:
278-250-7
Properties
Complexity:
500
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:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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