Home Carboxys 3-hydroxy-3-phenylcyclopentane-1-carboxylic acid

3-hydroxy-3-phenylcyclopentane-1-carboxylic acid

CAS No.:
1822817-37-7
Catalog Number:
AG01B81K
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG01B81K
Chemical Name:
3-hydroxy-3-phenylcyclopentane-1-carboxylic acid
CAS Number:
1822817-37-7
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD28146463
IUPAC Name:
3-hydroxy-3-phenylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C12H14O3/c13-11(14)9-6-7-12(15,8-9)10-4-2-1-3-5-10/h1-5,9,15H,6-8H2,(H,13,14)
InChI Key:
XYSFWCWXJQTOPP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(C1)(O)c1ccccc1
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties