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15872-48-7 | Benzoic acid, 4-(hexadecyloxy)-
CAS No: 15872-48-7 Catalog No: AG001QT5 MDL No:
Product Description
Catalog Number:
AG001QT5
Chemical Name:
Benzoic acid, 4-(hexadecyloxy)-
CAS Number:
15872-48-7
Molecular Formula:
C23H38O3
Molecular Weight:
362.5460
IUPAC Name:
4-hexadecoxybenzoic acid
InChI:
InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-22-18-16-21(17-19-22)23(24)25/h16-19H,2-15,20H2,1H3,(H,24,25)
InChI Key:
GAQCVRTXIAGNEM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)O
NSC Number:
89767
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.282g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.554g/mol
Monoisotopic Mass:
362.282g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
Literature
| Title | Journal |
|---|---|
| Pharmacophore-based discovery of a novel cytosolic phospholipase A(2)α inhibitor. | Bioorganic & medicinal chemistry letters 20120115 |
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