3130-75-4

Name 4-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BUTANOIC ACID
CAS 3130-75-4
EINECS(EC#) 200-589-5
Molecular Formula C12H11NO4
MDL Number MFCD00196079
Molecular Weight 233.22
MOL File 3130-75-4.mol
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Chemical Properties

Melting point  119-121°C
Boiling point  442.1±28.0 °C(Predicted)
density  1.389
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  Chloroform (Slightly), DMSO (Slightly)
form  Solid
pka 4.63±0.10(Predicted)
color  White to Off-White
λmax 290nm(EtOH)(lit.)
InChI InChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)
InChIKey HMKSXJBFBVGLJJ-UHFFFAOYSA-N
SMILES C1(=O)C2=C(C=CC=C2)C(=O)N1CCCC(O)=O
CAS DataBase Reference 3130-75-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
RTECS  NR3459000
HazardClass  IRRITANT
HS Code  2933599590

Hazard Information

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