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29378-16-3 | 2H-Isoindole-2-hexanoic acid, 5-carboxy-1,3-dihydro-1,3-dioxo-
CAS No: 29378-16-3 Catalog No: AG002Y81 MDL No:
Product Description
Catalog Number:
AG002Y81
Chemical Name:
2H-Isoindole-2-hexanoic acid, 5-carboxy-1,3-dihydro-1,3-dioxo-
CAS Number:
29378-16-3
Molecular Formula:
C15H15NO6
Molecular Weight:
305.2827
IUPAC Name:
2-(5-carboxypentyl)-1,3-dioxoisoindole-5-carboxylic acid
InChI:
InChI=1S/C15H15NO6/c17-12(18)4-2-1-3-7-16-13(19)10-6-5-9(15(21)22)8-11(10)14(16)20/h5-6,8H,1-4,7H2,(H,17,18)(H,21,22)
InChI Key:
WXAXXAMDSKKHPY-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCN1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.286g/mol
Monoisotopic Mass:
305.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Virtual screening approaches for the identification of non-lipid autotaxin inhibitors. | Bioorganic & medicinal chemistry 20080215 |
| 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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