Gliquidone Impurity 8

CAT: 1596-AR-G02306-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02306-06Size:250 Units

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

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CAS Number

1133-54-6

Molecular Formula

C12H14O2

Molecular Weight

190.24

API Name

Gliquidone

Chemical Information

6-Methoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one

CAS Number	1133-54-6
PubChem CID	16743267
IUPAC Name	6-methoxy-3,3-dimethyl-2H-inden-1-one
Molecular Formula	C12H14O2
Molecular Weight	190.24
XLogP	2.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	245

SMILES

CC1(CC(=O)C2=C1C=CC(=C2)OC)C

InChI

InChI=1S/C12H14O2/c1-12(2)7-11(13)9-6-8(14-3)4-5-10(9)12/h4-6H,7H2,1-3H3

InChIKey

YSDTWWGZZDDTHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1133-54-6

CID: 16743267

Formula: C12H14O2

MW: 190.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.24
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	190.099379685
Monoisotopic Mass	190.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	245
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