Gliquidone Impurity 19

CAT: 1596-AR-G02317-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02317-01Size:10 Units

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

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CAS Number

29598-22-9

Molecular Formula

C11H12O2

Molecular Weight

176.22

API Name

Gliquidone

Chemical Information

2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-

CAS Number	29598-22-9
PubChem CID	595333
IUPAC Name	4,4-dimethyl-3H-chromen-2-one
Molecular Formula	C11H12O2
Molecular Weight	176.21
XLogP	2.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	220

SMILES

CC1(CC(=O)OC2=CC=CC=C21)C

InChI

InChI=1S/C11H12O2/c1-11(2)7-10(12)13-9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3

InChIKey

ZBSFDCKGUFSQLN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29598-22-9

CID: 595333

Formula: C11H12O2

MW: 176.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.21
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	176.083729621
Monoisotopic Mass	176.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220
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