96296-39-8
2-BUTYL-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
Name
2-BUTYL-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
Formula
C13 H13 N O4
MolWeight
247.249
1Identification
【Name】
2-BUTYL-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD02905198
【English Synonyms】
【Formula】
C13 H13 N O4
【MolWeight】
247.249
【Inchi】
InChI=1S/C13H13NO4/c1-2-3-6-14-11(15)9-5-4-8(13(17)18)7-10(9)12(14)16/h4-5,7H,2-3,6H2,1H3,(H,17,18)
【InChIKey】
InChIKey=JPWIWDRTZPWZIL-UHFFFAOYSA-N
【SMILES】
CCCCN1C(=O)c2ccc(cc2C1=O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BUTYL-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID.cml
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