Gliquidone Impurity 7

CAT: 1596-AR-G02305-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02305-03Size:50 Units

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

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CAS Number

1136-01-2

Molecular Formula

C12H16O3

Molecular Weight

208.26

API Name

Gliquidone

Chemical Information

3-(4-Methoxyphenyl)-3-methylbutanoic acid

CAS Number	1136-01-2
PubChem CID	316804
IUPAC Name	3-(4-methoxyphenyl)-3-methylbutanoic acid
Molecular Formula	C12H16O3
Molecular Weight	208.25
XLogP	2.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	215

SMILES

CC(C)(CC(=O)O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C12H16O3/c1-12(2,8-11(13)14)9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H,13,14)

InChIKey

LFQSLLJGDHNKAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1136-01-2

CID: 316804

Formula: C12H16O3

MW: 208.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.25
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	208.109944368
Monoisotopic Mass	208.109944368
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	215
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