369398-78-7
5-((BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)METHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
Name5-((BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)METHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
1Identification
【Name】
5-((BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)METHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
【CAS】
【MDL】
MFCD00245136
【English Synonyms】
【Formula】
C14 H13 N O6
【MolWeight】
291.258
【Inchi】
InChI=1S/C14H13NO6/c1-14(2)20-12(16)9(13(17)21-14)6-15-8-3-4-10-11(5-8)19-7-18-10/h3-6,15H,7H2,1-2H3
【InChIKey】
InChIKey=HXEOGNQVOPBZRB-UHFFFAOYSA-N
【SMILES】
CC1(OC(=O)C(=CNc2ccc3c(c2)OCO3)C(=O)O1)C
【MOL File】
5-((BENZO[3,4-D]1,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-((BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)METHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE.cml