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835594-24-6 | Benzoic acid, 4-(5-butyl-3-isoxazolyl)-, methyl ester
CAS No: 835594-24-6 Catalog No: AG008J3S MDL No:
Product Description
Catalog Number:
AG008J3S
Chemical Name:
Benzoic acid, 4-(5-butyl-3-isoxazolyl)-, methyl ester
CAS Number:
835594-24-6
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
methyl 4-(5-butyl-1,2-oxazol-3-yl)benzoate
InChI:
InChI=1S/C15H17NO3/c1-3-4-5-13-10-14(16-19-13)11-6-8-12(9-7-11)15(17)18-2/h6-10H,3-5H2,1-2H3
InChI Key:
DHHBDLYHGDGFTE-UHFFFAOYSA-N
SMILES:
CCCCc1onc(c1)c1ccc(cc1)C(=O)OC
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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