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106658-50-8 | Pyridine, 2-butyl-3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1,2-dihydro-
CAS No: 106658-50-8 Catalog No: AG007C95 MDL No:
Product Description
Catalog Number:
AG007C95
Chemical Name:
Pyridine, 2-butyl-3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1,2-dihydro-
CAS Number:
106658-50-8
Molecular Formula:
C14H22N2O
Molecular Weight:
234.3373
IUPAC Name:
2-(2-butyl-2H-pyridin-3-ylidene)-4,4-dimethyl-1,3-oxazolidine
InChI:
InChI=1S/C14H22N2O/c1-4-5-8-12-11(7-6-9-15-12)13-16-14(2,3)10-17-13/h6-7,9,12,16H,4-5,8,10H2,1-3H3
InChI Key:
SZDQNJOWHPFAQV-UHFFFAOYSA-N
SMILES:
CCCCC1NC=CC=C1C1=NC(CO1)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.343g/mol
Monoisotopic Mass:
234.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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