Glycopyrrolate Impurity 31

CAT: 1299-RM-G122531-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G122531-01Size:10 mg

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CAS Number

185030-09-5

Synonyms

(R) -2- (cyclopent-1-en-1-yl) -2-hydroxy-2-phenylacetic acid

Molecular Formula

C13H14O3

Molecular Weight

218.25

Target Alternative Name

Glycopyrrolate

Product Name Synonym

(R) -2- (cyclopent-1-en-1-yl) -2-hydroxy-2-phenylacetic acid

Chemical Information

(R)-2-(Cyclopent-1-en-1-yl)-2-hydroxy-2-phenylacetic acid

CAS Number	185030-09-5
PubChem CID	10680332
IUPAC Name	(2R)-2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetic acid
Molecular Formula	C13H14O3
Molecular Weight	218.25
XLogP	1.9
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	302

SMILES

C1CC=C(C1)[C@@](C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C13H14O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-8,16H,4-5,9H2,(H,14,15)/t13-/m0/s1

InChIKey

ATRKPHAUYCRSSD-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 185030-09-5

CID: 10680332

Formula: C13H14O3

MW: 218.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.25
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	218.094294304
Monoisotopic Mass	218.094294304
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	302
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes