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158860-99-2 | Benzoic acid, 3-(cyclopentyloxy)-
CAS No: 158860-99-2 Catalog No: AG001QYD MDL No:MFCD09735105
Product Description
Catalog Number:
AG001QYD
Chemical Name:
Benzoic acid, 3-(cyclopentyloxy)-
CAS Number:
158860-99-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD09735105
IUPAC Name:
3-cyclopentyloxybenzoic acid
InChI:
InChI=1S/C12H14O3/c13-12(14)9-4-3-7-11(8-9)15-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6H2,(H,13,14)
InChI Key:
GFTZDGGMZKVKKN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)OC1CCCC1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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