51769-11-0
ETHYL 4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENE-1-CARBOXYLATE
NameETHYL 4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENE-1-CARBOXYLATE
1Identification
【Name】
ETHYL 4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD18969875
【English Synonyms】
【Formula】
C12 H20 O3
【MolWeight】
212.287
【Inchi】
InChI=1S/C12H20O3/c1-5-15-11(14)10-8(2)6-9(13)7-12(10,3)4/h6,9-10,13H,5,7H2,1-4H3
【InChIKey】
InChIKey=VBHJRLVIPZBBRT-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1C(=CC(CC1(C)C)O)C
【MOL File】
ETHYL 4-HYDROXY-2,6,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENE-1-CARBOXYLATE.cml