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41347-39-1 | 3-Pentanone, 2,4-bis(3-ethyl-4-methyl-5-isoxazolyl)-
CAS No: 41347-39-1 Catalog No: AG0072BK MDL No:
Product Description
Catalog Number:
AG0072BK
Chemical Name:
3-Pentanone, 2,4-bis(3-ethyl-4-methyl-5-isoxazolyl)-
CAS Number:
41347-39-1
Molecular Formula:
C17H24N2O3
Molecular Weight:
304.3841
IUPAC Name:
2,4-bis(3-ethyl-4-methyl-1,2-oxazol-5-yl)pentan-3-one
InChI:
InChI=1S/C17H24N2O3/c1-7-13-9(3)16(21-18-13)11(5)15(20)12(6)17-10(4)14(8-2)19-22-17/h11-12H,7-8H2,1-6H3
InChI Key:
ASEGLWJSGICIMM-UHFFFAOYSA-N
SMILES:
CCc1noc(c1C)C(C(=O)C(c1onc(c1C)CC)C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.39g/mol
Monoisotopic Mass:
304.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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