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91945-19-6 | Benzoic acid, 4-[[6-(3-methyl-5-isoxazolyl)hexyl]oxy]-
CAS No: 91945-19-6 Catalog No: AG0066QN MDL No:
Product Description
Catalog Number:
AG0066QN
Chemical Name:
Benzoic acid, 4-[[6-(3-methyl-5-isoxazolyl)hexyl]oxy]-
CAS Number:
91945-19-6
Molecular Formula:
C17H21NO4
Molecular Weight:
303.3529
IUPAC Name:
4-[6-(3-methyl-1,2-oxazol-5-yl)hexoxy]benzoic acid
InChI:
InChI=1S/C17H21NO4/c1-13-12-16(22-18-13)6-4-2-3-5-11-21-15-9-7-14(8-10-15)17(19)20/h7-10,12H,2-6,11H2,1H3,(H,19,20)
InChI Key:
ASSZLLDQIFJPDX-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CCCCCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.358g/mol
Monoisotopic Mass:
303.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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