Gliquidone Impurity 4

CAT: 1596-AR-G02302-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02302-04Size:100 Units

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

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CAS Number

33214-38-9

Molecular Formula

C12H16O3

Molecular Weight

208.26

API Name

Gliquidone

Chemical Information

3-(2-Methoxyphenyl)-3-methylbutanoic acid

CAS Number	33214-38-9
PubChem CID	12969776
IUPAC Name	3-(2-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	223

SMILES

CC(C)(CC(=O)O)C1=CC=CC=C1OC

InChI

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

InChIKey

ZHTMJDQKHVCZQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33214-38-9

CID: 12969776

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	223
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