103918-73-6
2-PHENYLTHIO-5-PROPIONYL PHENYL ACETIC ACID
Name2-PHENYLTHIO-5-PROPIONYL PHENYL ACETIC ACID
1Identification
【Name】
2-PHENYLTHIO-5-PROPIONYL PHENYL ACETIC ACID
【CAS】
【MDL】
MFCD07783011
【English Synonyms】
【Formula】
C17 H16 O3 S
【MolWeight】
300.376
【Inchi】
InChI=1S/C17H16O3S/c1-2-15(18)12-8-9-16(13(10-12)11-17(19)20)21-14-6-4-3-5-7-14/h3-10H,2,11H2,1H3,(H,19,20)
【InChIKey】
InChIKey=OIDXFJQJYOGXHS-UHFFFAOYSA-N
【SMILES】
CCC(=O)c1ccc(c(c1)CC(=O)O)Sc2ccccc2
【MOL File】
2-PHENYLTHIO-5-PROPI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-PHENYLTHIO-5-PROPIONYL PHENYL ACETIC ACID.cml