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16309-18-5 | Benzoic acid, 2-hydroxy-, decyl ester
CAS No: 16309-18-5 Catalog No: AG001TOY MDL No:
Product Description
Catalog Number:
AG001TOY
Chemical Name:
Benzoic acid, 2-hydroxy-, decyl ester
CAS Number:
16309-18-5
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
decyl 2-hydroxybenzoate
InChI:
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-11-14-20-17(19)15-12-9-10-13-16(15)18/h9-10,12-13,18H,2-8,11,14H2,1H3
InChI Key:
DEFZNQKDYOBMGU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)c1ccccc1O
NSC Number:
71528
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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