5457-09-0
3-ETHYL-3-HYDROXY-2-PHENYL-PENTANOIC ACID
Name3-ETHYL-3-HYDROXY-2-PHENYL-PENTANOIC ACID
1Identification
【Name】
3-ETHYL-3-HYDROXY-2-PHENYL-PENTANOIC ACID
【CAS】
【MDL】
MFCD19707229
【English Synonyms】
【Formula】
C13 H18 O3
【MolWeight】
222.282
【Inchi】
InChI=1S/C13H18O3/c1-3-13(16,4-2)11(12(14)15)10-8-6-5-7-9-10/h5-9,11,16H,3-4H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=HJEDWYXIJNWHJL-UHFFFAOYSA-N
【SMILES】
CCC(CC)(C(c1ccccc1)C(=O)O)O
【MOL File】
3-ETHYL-3-HYDROXY-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ETHYL-3-HYDROXY-2-PHENYL-PENTANOIC ACID.cml