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Home > Indoles and Oxindole > 353524-19-3
353524-19-3 | 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
CAS No: 353524-19-3 Catalog No: AG00JCGQ MDL No:
Product Description
Catalog Number:
AG00JCGQ
Chemical Name:
2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
CAS Number:
353524-19-3
Molecular Formula:
C16H15NO4
Molecular Weight:
285.2946
IUPAC Name:
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoic acid
InChI:
InChI=1S/C16H15NO4/c18-14-12-8-5-6-9(7-8)13(12)15(19)17(14)11-4-2-1-3-10(11)16(20)21/h1-4,8-9,12-13H,5-7H2,(H,20,21)
InChI Key:
NQFMEKCHBQAPAY-UHFFFAOYSA-N
SMILES:
O=C1C2C3CCC(C2C(=O)N1c1ccccc1C(=O)O)C3
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.299g/mol
Monoisotopic Mass:
285.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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