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735322-80-2 | 5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-ethoxybenzoic acid
CAS No: 735322-80-2 Catalog No: AG019IIG MDL No:MFCD04614733
Product Description
Catalog Number:
AG019IIG
Chemical Name:
5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-ethoxybenzoic acid
CAS Number:
735322-80-2
Molecular Formula:
C18H15NO5
Molecular Weight:
325.3154
MDL Number:
MFCD04614733
IUPAC Name:
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoic acid
InChI:
InChI=1S/C18H15NO5/c1-2-24-15-8-7-11(9-14(15)18(22)23)10-19-16(20)12-5-3-4-6-13(12)17(19)21/h3-9H,2,10H2,1H3,(H,22,23)
InChI Key:
AXIBWLCQMPQDMG-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C(=O)O)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.32g/mol
Monoisotopic Mass:
325.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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