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68981-83-9 | Pyridine, 4-butyl-3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-
CAS No: 68981-83-9 Catalog No: AG006EV7 MDL No:
Product Description
Catalog Number:
AG006EV7
Chemical Name:
Pyridine, 4-butyl-3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-
CAS Number:
68981-83-9
Molecular Formula:
C14H20N2O
Molecular Weight:
232.3214
IUPAC Name:
2-(4-butylpyridin-3-yl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C14H20N2O/c1-4-5-6-11-7-8-15-9-12(11)13-16-14(2,3)10-17-13/h7-9H,4-6,10H2,1-3H3
InChI Key:
RUQSZBBXZKEODB-UHFFFAOYSA-N
SMILES:
CCCCc1ccncc1C1=NC(CO1)(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.327g/mol
Monoisotopic Mass:
232.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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