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Home > Indoles and Oxindole > 1873-11-6
1873-11-6 | 4,7-Methano-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-(2-hydroxyethyl)-
CAS No: 1873-11-6 Catalog No: AG0074W5 MDL No:MFCD01473492
Product Description
Catalog Number:
AG0074W5
Chemical Name:
4,7-Methano-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-(2-hydroxyethyl)-
CAS Number:
1873-11-6
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD01473492
IUPAC Name:
4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C11H13NO3/c13-4-3-12-10(14)8-6-1-2-7(5-6)9(8)11(12)15/h1-2,6-9,13H,3-5H2
InChI Key:
WUNGPAHZQWNPEL-UHFFFAOYSA-N
SMILES:
OCCN1C(=O)C2C(C1=O)C1CC2C=C1
NSC Number:
14524
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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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