10133-88-7
(5-NITRO-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ACETIC ACID
Name
(5-NITRO-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ACETIC ACID
Formula
C10 H6 N2 O6
MolWeight
250.165
1Identification
【Name】
(5-NITRO-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ACETIC ACID
【CAS】
【MDL】
MFCD00435974
【English Synonyms】
【Formula】
C10 H6 N2 O6
【MolWeight】
250.165
【Inchi】
InChI=1S/C10H6N2O6/c13-8(14)4-11-9(15)6-2-1-5(12(17)18)3-7(6)10(11)16/h1-3H,4H2,(H,13,14)
【InChIKey】
InChIKey=IYUGAIHDSMCVCC-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1[N+](=O)[O-])C(=O)N(C2=O)CC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5-NITRO-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ACETIC ACID.cml
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