54883-87-3
1,3-DIHYDRO-ALPHA-HYDROXY-1,3-DIOXO-2H-ISOINDOLE-2-BUTANOIC ACID
Name
1,3-DIHYDRO-ALPHA-HYDROXY-1,3-DIOXO-2H-ISOINDOLE-2-BUTANOIC ACID
Formula
C12 H11 N O5
MolWeight
249.221
1Identification
【Name】
1,3-DIHYDRO-ALPHA-HYDROXY-1,3-DIOXO-2H-ISOINDOLE-2-BUTANOIC ACID
【CAS】
48172-10-7
;40732-91-0
;54883-87-3
【MDL】
MFCD01457304
【English Synonyms】
【Formula】
C12 H11 N O5
【MolWeight】
249.221
【Inchi】
InChI=1S/C12H11NO5/c14-9(12(17)18)5-6-13-10(15)7-3-1-2-4-8(7)11(13)16/h1-4,9,14H,5-6H2,(H,17,18)
【InChIKey】
InChIKey=YWDXODQRCDEZLN-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)C(=O)N(C2=O)CCC(C(=O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-DIHYDRO-ALPHA-HYDROXY-1,3-DIOXO-2H-ISOINDOLE-2-BUTANOIC ACID.cml
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