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Home > Indoles and Oxindole > 1914-20-1
1914-20-1 | 1H-Isoindole-1,3(2H)-dione, 2-methoxy-
CAS No: 1914-20-1 Catalog No: AG002F7X MDL No:MFCD00110773
Product Description
Catalog Number:
AG002F7X
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-methoxy-
CAS Number:
1914-20-1
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00110773
IUPAC Name:
2-methoxyisoindole-1,3-dione
InChI:
InChI=1S/C9H7NO3/c1-13-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChI Key:
VTULOVFSIMMKKO-UHFFFAOYSA-N
SMILES:
CON1C(=O)c2c(C1=O)cccc2
EC Number:
606-242-9
NSC Number:
127164
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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