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28534-15-8 | 4-(2,6-Dimethyloxan-4-yl)pyridine mixture of isomers
CAS No: 28534-15-8 Catalog No: AG01F8LT MDL No:
Product Description
Catalog Number:
AG01F8LT
Chemical Name:
4-(2,6-Dimethyloxan-4-yl)pyridine mixture of isomers
CAS Number:
28534-15-8
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
4-(2,6-dimethyloxan-4-yl)pyridine
InChI:
InChI=1S/C12H17NO/c1-9-7-12(8-10(2)14-9)11-3-5-13-6-4-11/h3-6,9-10,12H,7-8H2,1-2H3
InChI Key:
FUISWSBRNRFXKR-UHFFFAOYSA-N
SMILES:
CC1CC(CC(O1)C)c1ccncc1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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