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Home > Pyridines > 381677-91-4
381677-91-4 | 4-(pyridin-3-yl)oxane-2,6-dione
CAS No: 381677-91-4 Catalog No: AG01EIC0 MDL No:MFCD19348121
Product Description
Catalog Number:
AG01EIC0
Chemical Name:
4-(pyridin-3-yl)oxane-2,6-dione
CAS Number:
381677-91-4
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD19348121
IUPAC Name:
4-pyridin-3-yloxane-2,6-dione
InChI:
InChI=1S/C10H9NO3/c12-9-4-8(5-10(13)14-9)7-2-1-3-11-6-7/h1-3,6,8H,4-5H2
InChI Key:
BVPNPFSPZNGJRS-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)CC(C1)c1cccnc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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