122004-99-3
6-(3,5-DIMETHYL-4-METHOXYPHENYL)-6-OXOHEXANOIC ACID
Name6-(3,5-DIMETHYL-4-METHOXYPHENYL)-6-OXOHEXANOIC ACID
1Identification
【Name】
6-(3,5-DIMETHYL-4-METHOXYPHENYL)-6-OXOHEXANOIC ACID
【CAS】
【MDL】
MFCD01320034
【English Synonyms】
【Formula】
C15 H20 O4
【MolWeight】
264.319
【Inchi】
InChI=1S/C15H20O4/c1-10-8-12(9-11(2)15(10)19-3)13(16)6-4-5-7-14(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)
【InChIKey】
InChIKey=HHVBXODSXYCXGI-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1OC)C)C(=O)CCCCC(=O)O
【MOL File】
6-(3,5-DIMETHYL-4-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(3,5-DIMETHYL-4-METHOXYPHENYL)-6-OXOHEXANOIC ACID.cml