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89810-50-4 | Tetradecanoic acid, 4-octylphenyl ester
CAS No: 89810-50-4 Catalog No: AG003Y5Y MDL No:
Product Description
Catalog Number:
AG003Y5Y
Chemical Name:
Tetradecanoic acid, 4-octylphenyl ester
CAS Number:
89810-50-4
Molecular Formula:
C28H48O2
Molecular Weight:
416.6795
IUPAC Name:
(4-octylphenyl) tetradecanoate
InChI:
InChI=1S/C28H48O2/c1-3-5-7-9-11-12-13-14-15-17-19-21-28(29)30-27-24-22-26(23-25-27)20-18-16-10-8-6-4-2/h22-25H,3-21H2,1-2H3
InChI Key:
DWTMFOIDCXRIAT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)Oc1ccc(cc1)CCCCCCCC
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.365g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.69g/mol
Monoisotopic Mass:
416.365g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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