56896-91-4
4-(2,5-DIOXO-2,5-DIHYDRO-PYRROL-1-YL)-PHTHALIC ACID
Name4-(2,5-DIOXO-2,5-DIHYDRO-PYRROL-1-YL)-PHTHALIC ACID
1Identification
【Name】
4-(2,5-DIOXO-2,5-DIHYDRO-PYRROL-1-YL)-PHTHALIC ACID
【CAS】
【MDL】
MFCD06220733
【English Synonyms】
【Formula】
C12 H7 N O6
【MolWeight】
261.188
【Inchi】
InChI=1S/C12H7NO6/c14-9-3-4-10(15)13(9)6-1-2-7(11(16)17)8(5-6)12(18)19/h1-5H,(H,16,17)(H,18,19)
【InChIKey】
InChIKey=TVCWROCCGJJZDF-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1N2C(=O)C=CC2=O)C(=O)O)C(=O)O
【MOL File】
4-(2,5-DIOXO-2,5-DIH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2,5-DIOXO-2,5-DIHYDRO-PYRROL-1-YL)-PHTHALIC ACID.cml