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Home > Quinoline > 1194702-25-4
1194702-25-4 | 5-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS No: 1194702-25-4 Catalog No: AG01BWYR MDL No:MFCD30477515
Product Description
Catalog Number:
AG01BWYR
Chemical Name:
5-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS Number:
1194702-25-4
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD30477515
IUPAC Name:
5-methoxy-2-methyl-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C11H11NO3/c1-12-10(13)6-8-7(11(12)14)4-3-5-9(8)15-2/h3-5H,6H2,1-2H3
InChI Key:
SZLDIUFMECMSJF-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CC(=O)N(C2=O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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