197304-21-5
4-(4-FORMYL-3,5-DIMETHOXYPHENOXY)BUTYRIC ACID
Name4-(4-FORMYL-3,5-DIMETHOXYPHENOXY)BUTYRIC ACID
1Identification
【Name】
4-(4-FORMYL-3,5-DIMETHOXYPHENOXY)BUTYRIC ACID
【CAS】
【MDL】
MFCD01317805
【English Synonyms】
【Formula】
C13 H16 O6
【MolWeight】
268.263
【Inchi】
InChI=1S/C13H16O6/c1-17-11-6-9(19-5-3-4-13(15)16)7-12(18-2)10(11)8-14/h6-8H,3-5H2,1-2H3,(H,15,16)
【InChIKey】
InChIKey=SEJSVFHBVLKHLB-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1C=O)OC)OCCCC(=O)O
【MOL File】
4-(4-FORMYL-3,5-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-FORMYL-3,5-DIMETHOXYPHENOXY)BUTYRIC ACID.cml