Home Carboxys 2-benzylcyclopentane-1-carboxylic acid

2-benzylcyclopentane-1-carboxylic acid

CAS No.:
73742-04-8
Catalog Number:
AG01B77O
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG01B77O
Chemical Name:
2-benzylcyclopentane-1-carboxylic acid
CAS Number:
73742-04-8
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD24025156
IUPAC Name:
2-benzylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C13H16O2/c14-13(15)12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,14,15)
InChI Key:
HMZNQCDCGOOMDO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCC1Cc1ccccc1
Properties
Complexity:
219  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties