Gliquidone Impurity 1

CAT: 1299-RM-G121701-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G121701-04Size:100 mg

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

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CAS Number

52962-25-1

Synonyms

2- (carboxymethyl) -5-methoxybenzoic acid

Molecular Formula

C10H10O5

Molecular Weight

210.18

Target Alternative Name

Gliquidone

Product Name Synonym

2- (carboxymethyl) -5-methoxybenzoic acid

Chemical Information

2-Carboxymethyl-5-methoxy-benzoic acid

CAS Number	52962-25-1
PubChem CID	2305423
IUPAC Name	2-(carboxymethyl)-5-methoxybenzoic acid
Molecular Formula	C10H10O5
Molecular Weight	210.18
XLogP	0.9
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	250

SMILES

COC1=CC(=C(C=C1)CC(=O)O)C(=O)O

InChI

InChI=1S/C10H10O5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)

InChIKey

TUJHFMJYEXSKLS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52962-25-1

CID: 2305423

Formula: C10H10O5

MW: 210.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.18
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	210.05282342
Monoisotopic Mass	210.05282342
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	250
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