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189251-08-9 | Benzenepentanoic acid, phenyl ester
CAS No: 189251-08-9 Catalog No: AG002I51 MDL No:
Product Description
Catalog Number:
AG002I51
Chemical Name:
Benzenepentanoic acid, phenyl ester
CAS Number:
189251-08-9
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
phenyl 5-phenylpentanoate
InChI:
InChI=1S/C17H18O2/c18-17(19-16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13H,7-8,11,14H2
InChI Key:
QGHHZJILQNWGDF-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)CCCCc1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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