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556016-14-9 | 5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-methoxybenzoic acid
CAS No: 556016-14-9 Catalog No: AG019IEV MDL No:MFCD04610169
Product Description
Catalog Number:
AG019IEV
Chemical Name:
5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-methoxybenzoic acid
CAS Number:
556016-14-9
Molecular Formula:
C17H13NO5
Molecular Weight:
311.2888
MDL Number:
MFCD04610169
IUPAC Name:
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoic acid
InChI:
InChI=1S/C17H13NO5/c1-23-14-7-6-10(8-13(14)17(21)22)9-18-15(19)11-4-2-3-5-12(11)16(18)20/h2-8H,9H2,1H3,(H,21,22)
InChI Key:
WNUCWHKTZGWVGV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.293g/mol
Monoisotopic Mass:
311.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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