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146408-54-0 | 2,5(1H,3H)-Quinolinedione, 4,6,7,8-tetrahydro-4-methyl-
CAS No: 146408-54-0 Catalog No: AG001DZS MDL No:
Product Description
Catalog Number:
AG001DZS
Chemical Name:
2,5(1H,3H)-Quinolinedione, 4,6,7,8-tetrahydro-4-methyl-
CAS Number:
146408-54-0
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
4-methyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
InChI:
InChI=1S/C10H13NO2/c1-6-5-9(13)11-7-3-2-4-8(12)10(6)7/h6H,2-5H2,1H3,(H,11,13)
InChI Key:
SKXCGDZTMKBLJO-UHFFFAOYSA-N
SMILES:
O=C1CC(C)C2=C(N1)CCCC2=O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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