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835594-25-7 | Benzoic acid, 4-(5-pentyl-3-isoxazolyl)-, methyl ester
CAS No: 835594-25-7 Catalog No: AG008J3R MDL No:
Product Description
Catalog Number:
AG008J3R
Chemical Name:
Benzoic acid, 4-(5-pentyl-3-isoxazolyl)-, methyl ester
CAS Number:
835594-25-7
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
methyl 4-(5-pentyl-1,2-oxazol-3-yl)benzoate
InChI:
InChI=1S/C16H19NO3/c1-3-4-5-6-14-11-15(17-20-14)12-7-9-13(10-8-12)16(18)19-2/h7-11H,3-6H2,1-2H3
InChI Key:
AZDMZOMKPIMCQT-UHFFFAOYSA-N
SMILES:
CCCCCc1onc(c1)c1ccc(cc1)C(=O)OC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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