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Glycopyrrolate Impurity 27

CAT: 1596-AR-G02681-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G02681-01Size:10 Units
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CAS Number
1332599-61-7
Synonyms
Ethyl (R) -2-cyclopentyl-2-hydroxy-2-phenylacetate
Molecular Formula
C15H20O3
Molecular Weight
248.32
API Name
Glycopyrrolate

Chemical Information

Ethyl (alphaR)-alpha-Cyclopentyl-alpha-hydroxybenzeneacetate
CAS Number1332599-61-7
PubChem CID169439846
IUPAC Nameethyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP3.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity277
SMILES
CCOC(=O)[C@@](C1CCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C15H20O3/c1-2-18-14(16)15(17,13-10-6-7-11-13)12-8-4-3-5-9-12/h3-5,8-9,13,17H,2,6-7,10-11H2,1H3/t15-/m0/s1
InChIKey
YXQLGYVHODRFHA-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl (alphaR)-alpha-Cyclopentyl-alpha-hydroxybenzeneacetate
CAS: 1332599-61-7
CID: 169439846
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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