Gliquidone Impurity 13

CAT: 1299-RM-G121713-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G121713-01Size:10 mg

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CAS Number

1314701-46-6

Synonyms

2- (2-carboxypropan-2-yl) -5-methoxybenzoic acid

Molecular Formula

C12H14O5

Molecular Weight

238.24

Target Alternative Name

Gliquidone

Product Name Synonym

2- (2-carboxypropan-2-yl) -5-methoxybenzoic acid

Chemical Information

CID 176488234

CAS Number	1314701-46-6
PubChem CID	176488234
IUPAC Name	2-(2-carboxypropan-2-yl)-5-methoxybenzoic acid
Molecular Formula	C12H14O5
Molecular Weight	238.24
XLogP	1.8
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	310

SMILES

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

InChI

InChI=1S/C12H14O5/c1-12(2,11(15)16)9-5-4-7(17-3)6-8(9)10(13)14/h4-6H,1-3H3,(H,13,14)(H,15,16)

InChIKey

PQWWGPAYRLPNLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1314701-46-6

CID: 176488234

Formula: C12H14O5

MW: 238.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.24
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	238.08412354
Monoisotopic Mass	238.08412354
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	310
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