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Home > Indoles and Oxindole > 6971-11-5
6971-11-5 | 4,7-Methano-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-(2-propenyl)-
CAS No: 6971-11-5 Catalog No: AG00IBZ1 MDL No:MFCD00454998
Product Description
Catalog Number:
AG00IBZ1
Chemical Name:
4,7-Methano-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-(2-propenyl)-
CAS Number:
6971-11-5
MDL Number:
MFCD00454998
IUPAC Name:
4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C12H13NO2/c1-2-5-13-11(14)9-7-3-4-8(6-7)10(9)12(13)15/h2-4,7-10H,1,5-6H2
InChI Key:
LBSJYBSYYCKKGS-UHFFFAOYSA-N
NSC Number:
19686
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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