887978-64-5
1-(3,4-DIMETHOXYPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID
Name1-(3,4-DIMETHOXYPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID
1Identification
【Name】
1-(3,4-DIMETHOXYPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD06410575
【English Synonyms】
【Formula】
C15 H18 O5
【MolWeight】
278.302
【Inchi】
InChI=1S/C15H18O5/c1-19-12-4-3-10(9-13(12)20-2)15(14(17)18)7-5-11(16)6-8-15/h3-4,9H,5-8H2,1-2H3,(H,17,18)
【InChIKey】
InChIKey=YLJKQDCUVKTPEE-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)C2(CCC(=O)CC2)C(=O)O
【MOL File】
1-(3,4-DIMETHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(3,4-DIMETHOXYPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID.cml