92532-08-6
4-[[3-(1-HYDROXYHEXYL)PHENOXY]METHYL]-BENZOIC ACID
Name4-[[3-(1-HYDROXYHEXYL)PHENOXY]METHYL]-BENZOIC ACID
1Identification
【Name】
4-[[3-(1-HYDROXYHEXYL)PHENOXY]METHYL]-BENZOIC ACID
【CAS】
【MDL】
MFCD17171065
【English Synonyms】
【Formula】
C20 H24 O4
【MolWeight】
328.406
【Inchi】
InChI=1S/C20H24O4/c1-2-3-4-8-19(21)17-6-5-7-18(13-17)24-14-15-9-11-16(12-10-15)20(22)23/h5-7,9-13,19,21H,2-4,8,14H2,1H3,(H,22,23)
【InChIKey】
InChIKey=YLKOTXIXPRBEMV-UHFFFAOYSA-N
【SMILES】
CCCCCC(c1cccc(c1)OCc2ccc(cc2)C(=O)O)O
【MOL File】
4-[[3-(1-HYDROXYHEXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[[3-(1-HYDROXYHEXYL)PHENOXY]METHYL]-BENZOIC ACID.cml