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4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
[CAS# 88909-96-0]

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Identification
Name 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
Synonyms 1,3-Dioxo-1H-benz(de)isoquinoline-2(3H)-butanoic acid; 1,3-Dioxo-1H-benz(de)isoquinoline-2(3H)-butyric acid; 1H-Benz(de)isoquinoline-2(3H)-butanoic acid, 1,3-dioxo-
Molecular Structure CAS#: 88909-96-0, 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
Molecular Formula C16H13NO4
Molecular Weight 283.28
CAS Registry Number 88909-96-0
SMILES C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)O
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)
InChIKey ZHXRDXTYPCPBTI-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Melting point 181-183°C (Expl.)
Boiling point 536.5±33.0°C at 760 mmHg (Cal.)
Flash point 278.3±25.4°C (Cal.)
Safety Data
Safety Description IRRITANT
SDS Available
References
(1) Hung D. T.. Small-Molecule Inhibitor of Vibrio cholerae Virulence and Intestinal Colonization, Science, 2005
Market Analysis Reports
List of Reports Available for 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
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