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Olopatadine Impurity 16

CAT: 1299-RM-O162016-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-O162016-01Size:10 mg
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CAS Number
55453-89-9
Synonyms
2- ((4- (carboxymethyl) phenoxy) methyl) benzoic acid
Molecular Formula
C16H14O5
Molecular Weight
286.28
Target Alternative Name
Olopatadine
Product Name Synonym
2- ((4- (carboxymethyl) phenoxy) methyl) benzoic acid

Chemical Information

2-((4-Carboxymethylphenoxy)methyl)benzoic acid
CAS Number55453-89-9
PubChem CID12292309
IUPAC Name2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid
Molecular FormulaC16H14O5
Molecular Weight286.28
XLogP1.5
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity360
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)CC(=O)O)C(=O)O
InChI
InChI=1S/C16H14O5/c17-15(18)9-11-5-7-13(8-6-11)21-10-12-3-1-2-4-14(12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKey
BCYWXPITXHFIQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-Carboxymethylphenoxy)methyl)benzoic acid
CAS: 55453-89-9
CID: 12292309
Formula: C16H14O5
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass286.08412354
Monoisotopic Mass286.08412354
Topological Polar Surface Area83.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes