52073-06-0
2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-BENZOIC ACID, ETHYL ESTER
Name2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-BENZOIC ACID, ETHYL ESTER
1Identification
【Name】
2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-BENZOIC ACID, ETHYL ESTER
【CAS】
【MDL】
MFCD22381289
【English Synonyms】
【Formula】
C13 H18 O3
【MolWeight】
222.282
【Inchi】
InChI=1S/C13H18O3/c1-5-16-13(15)11-9(4)6-7-10(8(2)3)12(11)14/h6-8,14H,5H2,1-4H3
【InChIKey】
InChIKey=IORAMCRCNNDGDM-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(ccc(c1O)C(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, ETHYL ESTER.cml