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Home > Quinoline > 2059993-68-7
2059993-68-7 | 6-hydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS No: 2059993-68-7 Catalog No: AG01BWYY MDL No:MFCD30477521
Product Description
Catalog Number:
AG01BWYY
Chemical Name:
6-hydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS Number:
2059993-68-7
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD30477521
IUPAC Name:
6-hydroxy-2-methyl-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C10H9NO3/c1-11-9(13)5-6-4-7(12)2-3-8(6)10(11)14/h2-4,12H,5H2,1H3
InChI Key:
FYNYMNBHPVXVKF-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CC(=O)N(C2=O)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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