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16255-08-6 | Benzenepentanoic acid, 4-phenoxy-
CAS No: 16255-08-6 Catalog No: AG001T92 MDL No:
Product Description
Catalog Number:
AG001T92
Chemical Name:
Benzenepentanoic acid, 4-phenoxy-
CAS Number:
16255-08-6
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
IUPAC Name:
5-(4-phenoxyphenyl)pentanoic acid
InChI:
InChI=1S/C17H18O3/c18-17(19)9-5-4-6-14-10-12-16(13-11-14)20-15-7-2-1-3-8-15/h1-3,7-8,10-13H,4-6,9H2,(H,18,19)
InChI Key:
OIMJIOIOIVCZPF-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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