53407-82-2
2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-BENZOIC ACID, 1-METHYLETHYL ESTER
Name2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-BENZOIC ACID, 1-METHYLETHYL ESTER
1Identification
【Name】
2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-BENZOIC ACID, 1-METHYLETHYL ESTER
【CAS】
【MDL】
MFCD22381291
【English Synonyms】
【Formula】
C14 H20 O3
【MolWeight】
236.309
【Inchi】
InChI=1S/C14H20O3/c1-8(2)11-7-6-10(5)12(13(11)15)14(16)17-9(3)4/h6-9,15H,1-5H3
【InChIKey】
InChIKey=PZCKCPJUYUQZLR-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1C(=O)OC(C)C)O)C(C)C
【MOL File】
2-HYDROXY-6-METHYL-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-BENZOIC ACID, 1-METHYLETHYL ESTER.cml