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Olopatadine Impurity 17

CAT: 1299-RM-O162017-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-O162017-01Size:10 mg
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CAS Number
66801-40-9
Synonyms
11-oxo-6,11-dihydrodibenzo[b, e]oxepine-2-carboxylic acid
Molecular Formula
C15H10O4
Molecular Weight
254.24
Target Alternative Name
Olopatadine
Product Name Synonym
11-oxo-6,11-dihydrodibenzo[b, e]oxepine-2-carboxylic acid

Chemical Information

Olopatadine Impurity 17
CAS Number66801-40-9
PubChem CID12446821
IUPAC Name11-oxo-6H-benzo[c][1]benzoxepine-2-carboxylic acid
Molecular FormulaC15H10O4
Molecular Weight254.24
XLogP2.4
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity378
SMILES
C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)C(=O)O
InChI
InChI=1S/C15H10O4/c16-14-11-4-2-1-3-10(11)8-19-13-6-5-9(15(17)18)7-12(13)14/h1-7H,8H2,(H,17,18)
InChIKey
COXWXMDASYKDSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olopatadine Impurity 17
CAS: 66801-40-9
CID: 12446821
Formula: C15H10O4
MW: 254.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.24
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass254.05790880
Monoisotopic Mass254.05790880
Topological Polar Surface Area63.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity378
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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