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Home > Indoles and Oxindole > 90130-14-6
90130-14-6 | 4,7-Ethano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-phenyl-
CAS No: 90130-14-6 Catalog No: AG00H78H MDL No:
Product Description
Catalog Number:
AG00H78H
Chemical Name:
4,7-Ethano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-phenyl-
CAS Number:
90130-14-6
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
4-phenyl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
InChI:
InChI=1S/C16H15NO2/c18-15-13-10-6-7-11(9-8-10)14(13)16(19)17(15)12-4-2-1-3-5-12/h1-7,10-11,13-14H,8-9H2
InChI Key:
ZGRBDOVPDXEDMO-UHFFFAOYSA-N
SMILES:
O=C1C2C3CCC(C2C(=O)N1c1ccccc1)C=C3
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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