Home Carboxys 3-phenylcyclopentane-1-carboxylic acid

3-phenylcyclopentane-1-carboxylic acid

CAS No.:
91495-75-9
Catalog Number:
AG01AM7K
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
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Product Description
Catalog Number:
AG01AM7K
Chemical Name:
3-phenylcyclopentane-1-carboxylic acid
CAS Number:
91495-75-9
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD11977322
IUPAC Name:
3-phenylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C12H14O2/c13-12(14)11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
InChI Key:
IWOLSKRVZNXDNU-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(C1)c1ccccc1
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
New cyclopentane derivatives as inhibitors of steroid metabolizing enzymes AKR1C1 and AKR1C3. European journal of medicinal chemistry 20090601
Properties