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Home > Indoles and Oxindole > 89446-98-0
89446-98-0 | Benzoic acid, 3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-
CAS No: 89446-98-0 Catalog No: AG0042WF MDL No:MFCD00523810
Product Description
Catalog Number:
AG0042WF
Chemical Name:
Benzoic acid, 3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-
CAS Number:
89446-98-0
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
MDL Number:
MFCD00523810
IUPAC Name:
3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid
InChI:
InChI=1S/C15H13NO4/c17-13-11-6-1-2-7-12(11)14(18)16(13)10-5-3-4-9(8-10)15(19)20/h1-5,8,11-12H,6-7H2,(H,19,20)
InChI Key:
ACDDAJZIJAAEON-UHFFFAOYSA-N
SMILES:
O=C1N(c2cccc(c2)C(=O)O)C(=O)C2C1CC=CC2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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