Home Carboxys 1-Benzylcyclopentanecarboxylic acid

1-Benzylcyclopentanecarboxylic acid

CAS No.:
220875-85-4
Catalog Number:
AG0070CD
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG0070CD
Chemical Name:
1-Benzylcyclopentanecarboxylic acid
CAS Number:
220875-85-4
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD11848860
IUPAC Name:
1-benzylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C13H16O2/c14-12(15)13(8-4-5-9-13)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,15)
InChI Key:
PJWROSNRJZXGHJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)Cc1ccccc1
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:
3.1  
Properties