500005-12-9
3-HYDROXY-4-METHYL-1-(1-METHYLETHYL)-BICYCLO[3.1.0]HEX-3-EN-2-ONE
Name3-HYDROXY-4-METHYL-1-(1-METHYLETHYL)-BICYCLO[3.1.0]HEX-3-EN-2-ONE
1Identification
【Name】
3-HYDROXY-4-METHYL-1-(1-METHYLETHYL)-BICYCLO[3.1.0]HEX-3-EN-2-ONE
【CAS】
【MDL】
MFCD18826921
【English Synonyms】
【Formula】
C10 H14 O2
【MolWeight】
166.219
【Inchi】
InChI=1S/C10H14O2/c1-5(2)10-4-7(10)6(3)8(11)9(10)12/h5,7,11H,4H2,1-3H3
【InChIKey】
InChIKey=BQLGTGPKWAIGFH-UHFFFAOYSA-N
【SMILES】
CC1=C(C(=O)C2(C1C2)C(C)C)O
【MOL File】
3-HYDROXY-4-METHYL-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-4-METHYL-1-(1-METHYLETHYL)-BICYCLO[3.1.0]HEX-3-EN-2-ONE.cml