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38713-56-3 | Nonyl 4-hydroxybenzoate
CAS No: 38713-56-3 Catalog No: AG003LJ5 MDL No:MFCD00016483
Product Description
Catalog Number:
AG003LJ5
Chemical Name:
Nonyl 4-hydroxybenzoate
CAS Number:
38713-56-3
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
MDL Number:
MFCD00016483
IUPAC Name:
nonyl 4-hydroxybenzoate
InChI:
InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12,17H,2-8,13H2,1H3
InChI Key:
MBNSKHJDYXPONL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)c1ccc(cc1)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Molecular design of antifungal agents. | Journal of agricultural and food chemistry 20020703 |
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