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Repaglinide Impurity 7

CAT: 1299-RM-R160733-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R160733-01Size:10 mg
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CAS Number
1616596-63-4
Synonyms
2-ethoxy-4- (2-ethoxy-2-oxoethyl) benzoic acid
Molecular Formula
C13H16O5
Molecular Weight
252.26
Target Alternative Name
Repaglinide
Product Name Synonym
2-ethoxy-4- (2-ethoxy-2-oxoethyl) benzoic acid

Chemical Information

Repaglinide Impurity 7
CAS Number1616596-63-4
PubChem CID177835699
IUPAC Name2-ethoxy-4-(2-ethoxy-2-oxoethyl)benzoic acid
Molecular FormulaC13H16O5
Molecular Weight252.26
XLogP1.9
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity289
SMILES
CCOC1=C(C=CC(=C1)CC(=O)OCC)C(=O)O
InChI
InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)18-4-2)5-6-10(11)13(15)16/h5-7H,3-4,8H2,1-2H3,(H,15,16)
InChIKey
OYEJVSMENKEKFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Repaglinide Impurity 7
CAS: 1616596-63-4
CID: 177835699
Formula: C13H16O5
MW: 252.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.26
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass252.09977361
Monoisotopic Mass252.09977361
Topological Polar Surface Area72.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity289
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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