Gliquidone Impurity 12

CAT: 1596-AR-G02310-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02310-02Size:25 Units

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

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CAS Number

55974-25-9

Molecular Formula

C12H12O4

Molecular Weight

220.22

API Name

Gliquidone

Chemical Information

7-Methoxy-4,4-dimethyl-1,3-isochromandione

CAS Number	55974-25-9
PubChem CID	11499529
IUPAC Name	7-methoxy-4,4-dimethylisochromene-1,3-dione
Molecular Formula	C12H12O4
Molecular Weight	220.22
XLogP	2.1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	321

SMILES

CC1(C2=C(C=C(C=C2)OC)C(=O)OC1=O)C

InChI

InChI=1S/C12H12O4/c1-12(2)9-5-4-7(15-3)6-8(9)10(13)16-11(12)14/h4-6H,1-3H3

InChIKey

XAFPBWJMFWANOI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55974-25-9

CID: 11499529

Formula: C12H12O4

MW: 220.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.22
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	220.07355886
Monoisotopic Mass	220.07355886
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	321
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