Home Carboxys 1-(2-methylphenyl)cyclopentane-1-carboxylic acid

1-(2-methylphenyl)cyclopentane-1-carboxylic acid

CAS No.:
854414-95-2
Catalog Number:
AG00GLYK
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG00GLYK
Chemical Name:
1-(2-methylphenyl)cyclopentane-1-carboxylic acid
CAS Number:
854414-95-2
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD11037122
IUPAC Name:
1-(2-methylphenyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C13H16O2/c1-10-6-2-3-7-11(10)13(12(14)15)8-4-5-9-13/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)
InChI Key:
OXQMUWLDAHABBR-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)c1ccccc1C
Properties
Complexity:
241  
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:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties