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1393330-50-1 | Methyl 4-(pyridin-2-yl)oxane-4-carboxylate
CAS No: 1393330-50-1 Catalog No: AG01FBAF MDL No:
Product Description
Catalog Number:
AG01FBAF
Chemical Name:
Methyl 4-(pyridin-2-yl)oxane-4-carboxylate
CAS Number:
1393330-50-1
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
methyl 4-pyridin-2-yloxane-4-carboxylate
InChI:
InChI=1S/C12H15NO3/c1-15-11(14)12(5-8-16-9-6-12)10-4-2-3-7-13-10/h2-4,7H,5-6,8-9H2,1H3
InChI Key:
BCHHVDVUMOEFNT-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCOCC1)c1ccccn1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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