730951-42-5
(5-ISOPROPYL-6-METHYL-BENZOFURAN-3-YL)-ACETIC ACID
Name(5-ISOPROPYL-6-METHYL-BENZOFURAN-3-YL)-ACETIC ACID
1Identification
【Name】
(5-ISOPROPYL-6-METHYL-BENZOFURAN-3-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD04621700
【English Synonyms】
【Formula】
C14 H16 O3
【MolWeight】
232.277
【Inchi】
InChI=1S/C14H16O3/c1-8(2)11-6-12-10(5-14(15)16)7-17-13(12)4-9(11)3/h4,6-8H,5H2,1-3H3,(H,15,16)
【InChIKey】
InChIKey=OSRZHJPDAPUGSU-UHFFFAOYSA-N
【SMILES】
Cc1cc2c(cc1C(C)C)c(co2)CC(=O)O
【MOL File】
(5-ISOPROPYL-6-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5-ISOPROPYL-6-METHYL-BENZOFURAN-3-YL)-ACETIC ACID.cml