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Home > Imidazoles > 87236-16-6
87236-16-6 | 1-Methyl-(1)benzopyrano(3,4-d)imidazol-4(1H)-one
CAS No: 87236-16-6 Catalog No: AG008EUN MDL No:
Product Description
Catalog Number:
AG008EUN
Chemical Name:
1-Methyl-(1)benzopyrano(3,4-d)imidazol-4(1H)-one
CAS Number:
87236-16-6
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
IUPAC Name:
1-methylchromeno[3,4-d]imidazol-4-one
InChI:
InChI=1S/C11H8N2O2/c1-13-6-12-9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-6H,1H3
InChI Key:
PYBRFNFQHRUEEZ-UHFFFAOYSA-N
SMILES:
Cn1cnc2c1c1ccccc1oc2=O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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