73921-19-4
5-BENZOYL-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
Name5-BENZOYL-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
1Identification
【Name】
5-BENZOYL-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
【CAS】
【MDL】
MFCD06251743
【English Synonyms】
【Formula】
C13 H12 O5
【MolWeight】
248.233
【Inchi】
InChI=1S/C13H12O5/c1-13(2)17-11(15)9(12(16)18-13)10(14)8-6-4-3-5-7-8/h3-7,9H,1-2H3
【InChIKey】
InChIKey=XUMUAVVLHNSUNR-UHFFFAOYSA-N
【SMILES】
CC1(OC(=O)C(C(=O)O1)C(=O)c2ccccc2)C
【MOL File】
5-BENZOYL-2,2-DIMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BENZOYL-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE.cml