5101-00-8
4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID
Name4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID
1Identification
【Name】
4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID
【CAS】
【MDL】
MFCD02987265
【English Synonyms】
【Formula】
C13 H16 O6
【MolWeight】
268.263
【Inchi】
InChI=1S/C13H16O6/c1-17-10-6-8(9(14)4-5-12(15)16)7-11(18-2)13(10)19-3/h6-7H,4-5H2,1-3H3,(H,15,16)
【InChIKey】
InChIKey=VBPGSDAYADHUML-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC)OC)C(=O)CCC(=O)O
【MOL File】
4-(3,4,5-TRIMETHOXYP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3,4,5-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID.cml