Home Other Building Blocks Benzoic acid, 4-cyclopentyl-, methyl ester

Benzoic acid, 4-cyclopentyl-, methyl ester

CAS No.:
160598-47-0
Catalog Number:
AG001S1X
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG001S1X
Chemical Name:
Benzoic acid, 4-cyclopentyl-, methyl ester
CAS Number:
160598-47-0
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD20486551
IUPAC Name:
methyl 4-cyclopentylbenzoate
InChI:
InChI=1S/C13H16O2/c1-15-13(14)12-8-6-11(7-9-12)10-4-2-3-5-10/h6-10H,2-5H2,1H3
InChI Key:
NPJXXWSZAWOCFI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C1CCCC1
Properties
Complexity:
211  
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:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties