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57311-36-1 | 1-methyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
CAS No: 57311-36-1 Catalog No: AG01B7UU MDL No:MFCD03423994
Product Description
Catalog Number:
AG01B7UU
Chemical Name:
1-methyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
CAS Number:
57311-36-1
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD03423994
IUPAC Name:
1-methyl-7,8-dihydro-6H-quinoline-2,5-dione
InChI:
InChI=1S/C10H11NO2/c1-11-8-3-2-4-9(12)7(8)5-6-10(11)13/h5-6H,2-4H2,1H3
InChI Key:
GKMANJNJOGJCNJ-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1ccc(=O)n2C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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