Gliquidone Impurity 34

CAT: 1299-RM-G121734-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G121734-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

191988-38-2

Synonyms

7-methoxy-2,4,4-trimethylisoquinoline-1,3 (2H,4H) -dione

Molecular Formula

C13H15NO3

Molecular Weight

233.27

Target Alternative Name

Gliquidone

Product Name Synonym

7-methoxy-2,4,4-trimethylisoquinoline-1,3 (2H,4H) -dione

Chemical Information

2,4,4-Trimethyl-7-methoxy-isoquinolinedione-(1,3)

CAS Number	191988-38-2
PubChem CID	7033869
IUPAC Name	7-methoxy-2,4,4-trimethylisoquinoline-1,3-dione
Molecular Formula	C13H15NO3
Molecular Weight	233.26
XLogP	1.7
Topological Polar Surface Area	46.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	351

SMILES

CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)C)C

InChI

InChI=1S/C13H15NO3/c1-13(2)10-6-5-8(17-4)7-9(10)11(15)14(3)12(13)16/h5-7H,1-4H3

InChIKey

PNHXAFOGUFWCJQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 191988-38-2

CID: 7033869

Formula: C13H15NO3

MW: 233.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.26
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	233.10519334
Monoisotopic Mass	233.10519334
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	351
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes