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137247-85-9 | 1H-Isoindole-5-carboxylic acid, 2-ethyl-2,3-dihydro-1,3-dioxo-
CAS No: 137247-85-9 Catalog No: AG0012ZJ MDL No:MFCD02905134
Product Description
Catalog Number:
AG0012ZJ
Chemical Name:
1H-Isoindole-5-carboxylic acid, 2-ethyl-2,3-dihydro-1,3-dioxo-
CAS Number:
137247-85-9
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD02905134
IUPAC Name:
2-ethyl-1,3-dioxoisoindole-5-carboxylic acid
InChI:
InChI=1S/C11H9NO4/c1-2-12-9(13)7-4-3-6(11(15)16)5-8(7)10(12)14/h3-5H,2H2,1H3,(H,15,16)
InChI Key:
FMHDMAFJLDZEKG-UHFFFAOYSA-N
SMILES:
CCN1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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