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O-Methylglycosolone

CAT: 0013-GTR19269244Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269244Size:5 mg
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Description
O-Methylglycosolone
CAS Number
41303-25-7
Purity
>=98%
Molecular Formula
C17H21NO3
Molecular Weight
287.4
Notes
For research use only.

Chemical Information

4,8-Dimethoxy-1-methyl-3-(3-methylbut-2-en-1-yl)quinolin-2(1H)-one

4,8-Dimethoxy-1-methyl-3-(3-methylbut-2-en-1-yl)quinolin-2(1H)-one has been reported in Glycosmis parviflora, Glycosmis pentaphylla, and other organisms with data available.

CAS Number41303-25-7
PubChem CID15491437
IUPAC Name4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
Molecular FormulaC17H21NO3
Molecular Weight287.35
XLogP3.1
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity463
SMILES
CC(=CCC1=C(C2=C(C(=CC=C2)OC)N(C1=O)C)OC)C
InChI
InChI=1S/C17H21NO3/c1-11(2)9-10-13-16(21-5)12-7-6-8-14(20-4)15(12)18(3)17(13)19/h6-9H,10H2,1-5H3
InChIKey
SRNUIOCZZWKSIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,8-Dimethoxy-1-methyl-3-(3-methylbut-2-en-1-yl)quinolin-2(1H)-one
CAS: 41303-25-7
CID: 15491437
Formula: C17H21NO3
MW: 287.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight287.35
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass287.15214353
Monoisotopic Mass287.15214353
Topological Polar Surface Area38.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes