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918785-21-4 | 2(1H)-Quinolinone, 4-(1,1-dimethyl-2-propen-1-yl)-1-ethyl-3-hydroxy-
CAS No: 918785-21-4 Catalog No: AG006BXH MDL No:
Product Description
Catalog Number:
AG006BXH
Chemical Name:
2(1H)-Quinolinone, 4-(1,1-dimethyl-2-propen-1-yl)-1-ethyl-3-hydroxy-
CAS Number:
918785-21-4
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
1-ethyl-3-hydroxy-4-(2-methylbut-3-en-2-yl)quinolin-2-one
InChI:
InChI=1S/C16H19NO2/c1-5-16(3,4)13-11-9-7-8-10-12(11)17(6-2)15(19)14(13)18/h5,7-10,18H,1,6H2,2-4H3
InChI Key:
DMZFGAYHQFHFLA-UHFFFAOYSA-N
SMILES:
C=CC(c1c(O)c(=O)n(c2c1cccc2)CC)(C)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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