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88300-58-7 | 2-Butanone, 3-(2,6-diethyl-4-pyridinyl)-
CAS No: 88300-58-7 Catalog No: AG0048QZ MDL No:
Product Description
Catalog Number:
AG0048QZ
Chemical Name:
2-Butanone, 3-(2,6-diethyl-4-pyridinyl)-
CAS Number:
88300-58-7
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
3-(2,6-diethylpyridin-4-yl)butan-2-one
InChI:
InChI=1S/C13H19NO/c1-5-12-7-11(9(3)10(4)15)8-13(6-2)14-12/h7-9H,5-6H2,1-4H3
InChI Key:
VFYWHEMAQBVOLU-UHFFFAOYSA-N
SMILES:
CCc1cc(cc(n1)CC)C(C(=O)C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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