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88909-96-0 | 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H);-yl);butanoic acid
CAS No: 88909-96-0 Catalog No: AG0048W0 MDL No:MFCD00181400
Product Description
Catalog Number:
AG0048W0
Chemical Name:
4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H);-yl);butanoic acid
CAS Number:
88909-96-0
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
MDL Number:
MFCD00181400
IUPAC Name:
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
InChI:
InChI=1S/C16H13NO4/c18-13(19)8-3-9-17-15(20)11-6-1-4-10-5-2-7-12(14(10)11)16(17)21/h1-2,4-7H,3,8-9H2,(H,18,19)
InChI Key:
ZHXRDXTYPCPBTI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Chemical inhibition of RNA viruses reveals REDD1 as a host defense factor. | Nature chemical biology 20110911 |
| 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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