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160598-47-0 | Benzoic acid, 4-cyclopentyl-, methyl ester
CAS No: 160598-47-0 Catalog No: AG001S1X MDL No:MFCD20486551
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
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