868526-38-9
8-HYDROXY-8-(2-(PENTYLOXY)PHENYL)-5-OCTYNOIC ACID, METHYL ESTER
Name8-HYDROXY-8-(2-(PENTYLOXY)PHENYL)-5-OCTYNOIC ACID, METHYL ESTER
1Identification
【Name】
8-HYDROXY-8-(2-(PENTYLOXY)PHENYL)-5-OCTYNOIC ACID, METHYL ESTER
【CAS】
【MDL】
MFCD12912324
【English Synonyms】
【Formula】
C20 H28 O4
【MolWeight】
332.437
【Inchi】
InChI=1S/C20H28O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-4,6,8,11,13,15-16H2,1-2H3
【InChIKey】
InChIKey=ZQRYAWVNSTVEIJ-UHFFFAOYSA-N
【SMILES】
CCCCCOc1ccccc1C(CC#CCCCC(=O)OC)O
【MOL File】
8-HYDROXY-8-(2-(PENT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-HYDROXY-8-(2-(PENTYLOXY)PHENYL)-5-OCTYNOIC ACID, METHYL ESTER.cml