Home Other Building Blocks 2-(1-phenylcyclopentyl)acetic acid

2-(1-phenylcyclopentyl)acetic acid

CAS No.:
70239-29-1
Catalog Number:
AG01BROD
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG01BROD
Chemical Name:
2-(1-phenylcyclopentyl)acetic acid
CAS Number:
70239-29-1
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD16305704
IUPAC Name:
2-(1-phenylcyclopentyl)acetic acid
InChI:
InChI=1S/C13H16O2/c14-12(15)10-13(8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,15)
InChI Key:
HQLHNHOWMVAWQK-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CCCC1)c1ccccc1
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Design, pharmacokinetic, and pharmacodynamic evaluation of soft anticholinergics based on tropyl alpha-phenylcyclopentylacetate. Die Pharmazie 20020201
Properties