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Olopatadine Impurity 15

CAT: 1299-RM-O162015-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-O162015-01Size:10 mg
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CAS Number
55690-18-1
Synonyms
2- ((4- (2-methoxy-2-oxoethyl) phenoxy) methyl) benzoic acid
Molecular Formula
C17H16O5
Molecular Weight
300.31
Target Alternative Name
Olopatadine
Product Name Synonym
2- ((4- (2-methoxy-2-oxoethyl) phenoxy) methyl) benzoic acid

Chemical Information

2-((4-(2-Methoxy-2-oxoethyl)phenoxy)methyl)benzoic acid
CAS Number55690-18-1
PubChem CID69040691
IUPAC Name2-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]benzoic acid
Molecular FormulaC17H16O5
Molecular Weight300.30
XLogP2.7
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity373
SMILES
COC(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C17H16O5/c1-21-16(18)10-12-6-8-14(9-7-12)22-11-13-4-2-3-5-15(13)17(19)20/h2-9H,10-11H2,1H3,(H,19,20)
InChIKey
CFRLKELVBAXCKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-(2-Methoxy-2-oxoethyl)phenoxy)methyl)benzoic acid
CAS: 55690-18-1
CID: 69040691
Formula: C17H16O5
MW: 300.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.30
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass300.09977361
Monoisotopic Mass300.09977361
Topological Polar Surface Area72.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity373
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

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