Glycopyrrolate Impurity 14

CAT: 1299-RM-G122530-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G122530-01Size:10 mg

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CAS Number

92021-41-5

Synonyms

2- (4-chlorophenyl) -2-cyclopentyl-2-hydroxyacetic acid

Molecular Formula

C13H15ClO3

Molecular Weight

254.71

Target Alternative Name

Glycopyrrolate

Product Name Synonym

2- (4-chlorophenyl) -2-cyclopentyl-2-hydroxyacetic acid

Chemical Information

2-(4-Chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid

CAS Number	92021-41-5
PubChem CID	68689333
IUPAC Name	2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid
Molecular Formula	C13H15ClO3
Molecular Weight	254.71
XLogP	3.1
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	280

SMILES

C1CCC(C1)C(C2=CC=C(C=C2)Cl)(C(=O)O)O

InChI

InChI=1S/C13H15ClO3/c14-11-7-5-10(6-8-11)13(17,12(15)16)9-3-1-2-4-9/h5-9,17H,1-4H2,(H,15,16)

InChIKey

TYTSGJDEVCAFHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92021-41-5

CID: 68689333

Formula: C13H15ClO3

MW: 254.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.71
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	254.0709720
Monoisotopic Mass	254.0709720
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	280
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes