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4494-53-5 | 2-Methylisoquinoline-1,3(2H,4H)-dione
CAS No: 4494-53-5 Catalog No: AG00DZP9 MDL No:MFCD00770324
Product Description
Catalog Number:
AG00DZP9
Chemical Name:
2-Methylisoquinoline-1,3(2H,4H)-dione
CAS Number:
4494-53-5
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00770324
IUPAC Name:
2-methyl-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C10H9NO2/c1-11-9(12)6-7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3
InChI Key:
JNMUQWIITYQZSA-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2C(=O)N1C
NSC Number:
409147
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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