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Home > Pyridines > 146683-25-2
146683-25-2 | 1H-Pyrano[3,4-c]pyridine-3,8(4H,7H)-dione, 4-ethyl-4-hydroxy-, (4S)-
CAS No: 146683-25-2 Catalog No: AG001E8B MDL No:MFCD20040389
Product Description
Catalog Number:
AG001E8B
Chemical Name:
1H-Pyrano[3,4-c]pyridine-3,8(4H,7H)-dione, 4-ethyl-4-hydroxy-, (4S)-
CAS Number:
146683-25-2
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD20040389
IUPAC Name:
(4S)-4-ethyl-4-hydroxy-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione
InChI:
InChI=1S/C10H11NO4/c1-2-10(14)7-3-4-11-8(12)6(7)5-15-9(10)13/h3-4,14H,2,5H2,1H3,(H,11,12)/t10-/m0/s1
InChI Key:
BUXBOOPDBDMDFZ-JTQLQIEISA-N
SMILES:
CC[C@@]1(O)C(=O)OCc2c1cc[nH]c2=O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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