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1402232-59-0 | Methyl 4-(pyridin-3-yl)oxane-4-carboxylate
CAS No: 1402232-59-0 Catalog No: AG01FBAI MDL No:
Product Description
Catalog Number:
AG01FBAI
Chemical Name:
Methyl 4-(pyridin-3-yl)oxane-4-carboxylate
CAS Number:
1402232-59-0
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
methyl 4-pyridin-3-yloxane-4-carboxylate
InChI:
InChI=1S/C12H15NO3/c1-15-11(14)12(4-7-16-8-5-12)10-3-2-6-13-9-10/h2-3,6,9H,4-5,7-8H2,1H3
InChI Key:
QFBQYBIIKSTGQS-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCOCC1)c1cccnc1
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:
0.8
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