56039-24-8
6-ETHYL-2,4-DIOXO-3-PROPIONYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLIC ACID
Name6-ETHYL-2,4-DIOXO-3-PROPIONYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLIC ACID
1Identification
【Name】
6-ETHYL-2,4-DIOXO-3-PROPIONYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD23099198
【English Synonyms】
【Formula】
C11 H12 O6
【MolWeight】
240.21
【Inchi】
InChI=1S/C11H12O6/c1-3-5(12)7-9(13)8(10(14)15)6(4-2)17-11(7)16/h7H,3-4H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=AMVAQNNZJPUMGZ-UHFFFAOYSA-N
【SMILES】
CCC1=C(C(=O)C(C(=O)O1)C(=O)CC)C(=O)O
【MOL File】
6-ETHYL-2,4-DIOXO-3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-ETHYL-2,4-DIOXO-3-PROPIONYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLIC ACID.cml