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Cyclopentolate EP Impurity A

CAT: 1596-AR-C05627-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C05627-04Size:100 Units
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CAS Number
25209-52-3
Synonyms
2- (1-hydroxycyclopentyl) -2-phenylacetic acid; 1-Hydroxy-alpha-Phenylcyclopentaneacetic Acid
Molecular Formula
C13H16O3
Molecular Weight
220.27
API Name
Cyclopentolate

Chemical Information

1-Hydroxy-alpha-phenylcyclopentylacetic acid

(1-hydroxycyclopentyl)phenylacetic acid is (1-hydroxycyclopentyl)acetic acid in which one of the hydrogens alpha to the carboxylic acid group is substituted by a phenyl group. It is a monocarboxylic acid and a tertiary alcohol.

CAS Number25209-52-3
PubChem CID91332
IUPAC Name2-(1-hydroxycyclopentyl)-2-phenylacetic acid
Molecular FormulaC13H16O3
Molecular Weight220.26
XLogP2.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity250
SMILES
C1CCC(C1)(C(C2=CC=CC=C2)C(=O)O)O
InChI
InChI=1S/C13H16O3/c14-12(15)11(10-6-2-1-3-7-10)13(16)8-4-5-9-13/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)
InChIKey
MHVVPVXRMHIATI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-alpha-phenylcyclopentylacetic acid
CAS: 25209-52-3
CID: 91332
Formula: C13H16O3
MW: 220.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.26
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass220.109944368
Monoisotopic Mass220.109944368
Topological Polar Surface Area57.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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