77423-13-3
2,4-DIOXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZINE-6-CARBOXYLIC ACID
Name2,4-DIOXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZINE-6-CARBOXYLIC ACID
1Identification
【Name】
2,4-DIOXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZINE-6-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08704695
【English Synonyms】
【Formula】
C9 H5 N O5
【MolWeight】
207.141
【Inchi】
InChI=1S/C9H5NO5/c11-7(12)4-1-2-6-5(3-4)8(13)15-9(14)10-6/h1-3H,(H,10,14)(H,11,12)
【InChIKey】
InChIKey=RTAAAHDNZMQESJ-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1C(=O)O)c(=O)oc(=O)[nH]2
【MOL File】
2,4-DIOXO-2,4-DIHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIOXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZINE-6-CARBOXYLIC ACID.cml