Gliquidone Impurity 9

CAT: 1596-AR-G02307-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02307-03Size:50 Units

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

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CAS Number

74413-59-5

Molecular Formula

C12H13NO3

Molecular Weight

219.24

API Name

Gliquidone

Chemical Information

Gliquidone Impurity 32

CAS Number	74413-59-5
PubChem CID	73318686
IUPAC Name	2-hydroxyimino-6-methoxy-3,3-dimethylinden-1-one
Molecular Formula	C12H13NO3
Molecular Weight	219.24
XLogP	2.6
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	335

SMILES

CC1(C2=C(C=C(C=C2)OC)C(=O)C1=NO)C

InChI

InChI=1S/C12H13NO3/c1-12(2)9-5-4-7(16-3)6-8(9)10(14)11(12)13-15/h4-6,15H,1-3H3

InChIKey

QEOQPJMRMBOFFQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74413-59-5

CID: 73318686

Formula: C12H13NO3

MW: 219.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.24
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	219.08954328
Monoisotopic Mass	219.08954328
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	335
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes