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10411-16-2 | 3,3-dimethyl-1,2,3,6-tetrahydropyridine-2,6-dione
CAS No: 10411-16-2 Catalog No: AG01ABKK MDL No:MFCD20728275
Product Description
Catalog Number:
AG01ABKK
Chemical Name:
3,3-dimethyl-1,2,3,6-tetrahydropyridine-2,6-dione
CAS Number:
10411-16-2
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD20728275
IUPAC Name:
3,3-dimethylpyridine-2,6-dione
InChI:
InChI=1S/C7H9NO2/c1-7(2)4-3-5(9)8-6(7)10/h3-4H,1-2H3,(H,8,9,10)
InChI Key:
PUFFWLRDWQXTIY-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C=CC1(C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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