Glycopyrrolate Impurity 43

CAT: 1299-RM-G122543-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-G122543-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1404453-64-0

Synonyms

2- (cyclopent-3-en-1-yl) -2-hydroxy-2-phenylacetic acid

Molecular Formula

C13H14O3

Molecular Weight

218.25

Target Alternative Name

Glycopyrrolate

Product Name Synonym

2- (cyclopent-3-en-1-yl) -2-hydroxy-2-phenylacetic acid

Chemical Information

Glycopyrrolate Impurity 43

CAS Number	1404453-64-0
PubChem CID	177830956
IUPAC Name	2-cyclopent-3-en-1-yl-2-hydroxy-2-phenylacetic acid
Molecular Formula	C13H14O3
Molecular Weight	218.25
XLogP	2.1
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	284

SMILES

C1C=CCC1C(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/h1-7,11,16H,8-9H2,(H,14,15)

InChIKey

KROAPUHFTJMPTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1404453-64-0

CID: 177830956

Formula: C13H14O3

MW: 218.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.25
XLogP3	2.1
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	284
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