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20096-03-1 | 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-5-(hydroxymethyl)-
CAS No: 20096-03-1 Catalog No: AG002D4N MDL No:MFCD01758666
Product Description
Catalog Number:
AG002D4N
Chemical Name:
2,4(1H,3H)-Pyridinedione, 3,3-diethyl-5-(hydroxymethyl)-
CAS Number:
20096-03-1
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD01758666
IUPAC Name:
3,3-diethyl-5-(hydroxymethyl)-1H-pyridine-2,4-dione
InChI:
InChI=1S/C10H15NO3/c1-3-10(4-2)8(13)7(6-12)5-11-9(10)14/h5,12H,3-4,6H2,1-2H3,(H,11,14)
InChI Key:
LRBLMOZKEZGJGQ-UHFFFAOYSA-N
SMILES:
OCC1=CNC(=O)C(C1=O)(CC)CC
EC Number:
243-509-5
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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