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76525-28-5 | 2(1H)-Quinolinone, 4,7,8-trimethoxy-1-methyl-3-(3-methyl-2-butenyl)-
CAS No: 76525-28-5 Catalog No: AG005KRG MDL No:
Product Description
Catalog Number:
AG005KRG
Chemical Name:
2(1H)-Quinolinone, 4,7,8-trimethoxy-1-methyl-3-(3-methyl-2-butenyl)-
CAS Number:
76525-28-5
Molecular Formula:
C18H23NO4
Molecular Weight:
317.3795
IUPAC Name:
4,7,8-trimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
InChI:
InChI=1S/C18H23NO4/c1-11(2)7-8-13-16(22-5)12-9-10-14(21-4)17(23-6)15(12)19(3)18(13)20/h7,9-10H,8H2,1-6H3
InChI Key:
RKOPYQDWUOSPQI-UHFFFAOYSA-N
SMILES:
COc1c(CC=C(C)C)c(=O)n(c2c1ccc(c2OC)OC)C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.385g/mol
Monoisotopic Mass:
317.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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