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82558-94-9 | Benzamide, 2,6-dimethyl-N-(3-propyl-5-isoxazolyl)-
CAS No: 82558-94-9 Catalog No: AG004U7B MDL No:
Product Description
Catalog Number:
AG004U7B
Chemical Name:
Benzamide, 2,6-dimethyl-N-(3-propyl-5-isoxazolyl)-
CAS Number:
82558-94-9
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
IUPAC Name:
2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide
InChI:
InChI=1S/C15H18N2O2/c1-4-6-12-9-13(19-17-12)16-15(18)14-10(2)7-5-8-11(14)3/h5,7-9H,4,6H2,1-3H3,(H,16,18)
InChI Key:
KKYYXLPWUOWASR-UHFFFAOYSA-N
SMILES:
CCCc1noc(c1)NC(=O)c1c(C)cccc1C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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