53407-81-1
2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-BENZOIC ACID, PROPYL ESTER
Name2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-BENZOIC ACID, PROPYL ESTER
1Identification
【Name】
2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-BENZOIC ACID, PROPYL ESTER
【CAS】
【MDL】
MFCD22381290
【English Synonyms】
【Formula】
C14 H20 O3
【MolWeight】
236.309
【Inchi】
InChI=1S/C14H20O3/c1-5-8-17-14(16)12-10(4)6-7-11(9(2)3)13(12)15/h6-7,9,15H,5,8H2,1-4H3
【InChIKey】
InChIKey=AABKOLTZSKLPPU-UHFFFAOYSA-N
【SMILES】
CCCOC(=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, PROPYL ESTER.cml