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Benzenenonanoic acid

CAS No.:
16269-06-0
Catalog Number:
AG001TBI
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
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Product Description
Catalog Number:
AG001TBI
Chemical Name:
Benzenenonanoic acid
CAS Number:
16269-06-0
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD00037803
IUPAC Name:
9-phenylnonanoic acid
InChI:
InChI=1S/C15H22O2/c16-15(17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2,(H,16,17)
InChI Key:
URWLWLXGACJYCO-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCc1ccccc1
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Poly-3-hydroxyalkanoate synthases from Pseudomonas putida U: substrate specificity and ultrastructural studies. Microbial biotechnology 20080301
Properties