310905-97-6
3-CYCLOHEPTEN-1-ONE, 2-HYDROXY-5-(1-METHYLETHYL)-, (5S)-
Name3-CYCLOHEPTEN-1-ONE, 2-HYDROXY-5-(1-METHYLETHYL)-, (5S)-
1Identification
【Name】
3-CYCLOHEPTEN-1-ONE, 2-HYDROXY-5-(1-METHYLETHYL)-, (5S)-
【CAS】
【MDL】
MFCD18832474
【English Synonyms】
【Formula】
C10 H16 O2
【MolWeight】
168.234
【Inchi】
InChI=1S/C10H16O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3,5,7-9,11H,4,6H2,1-2H3/t8-,9?/m0/s1
【InChIKey】
InChIKey=UAIDANSOABMCFC-IENPIDJESA-N
【SMILES】
CC(C)[C@@H]1CCC(=O)C(C=C1)O
【MOL File】
3-CYCLOHEPTEN-1-ONE,….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-CYCLOHEPTEN-1-ONE, 2-HYDROXY-5-(1-METHYLETHYL)-, (5S)-.cml