777882-71-0
BICYCLO[2.2.1]HEPTAN-2-ONE, 1,7,7-TRIMETHYL-3-(2-OXOPROPYL)-, (1R,3R,4R)-
NameBICYCLO[2.2.1]HEPTAN-2-ONE, 1,7,7-TRIMETHYL-3-(2-OXOPROPYL)-, (1R,3R,4R)-
1Identification
【Name】
BICYCLO[2.2.1]HEPTAN-2-ONE, 1,7,7-TRIMETHYL-3-(2-OXOPROPYL)-, (1R,3R,4R)-
【CAS】
【MDL】
MFCD18832667
【English Synonyms】
【Formula】
C13 H20 O2
【MolWeight】
208.299
【Inchi】
InChI=1S/C13H20O2/c1-8(14)7-9-10-5-6-13(4,11(9)15)12(10,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,13+/m1/s1
【InChIKey】
InChIKey=UOEZLLQVSJISCR-BREBYQMCSA-N
【SMILES】
CC(=O)C[C@@H]1[C@H]2CC[C@@](C1=O)(C2(C)C)C
【MOL File】
BICYCLO[2.2.1]HEPTAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BICYCLO[2.2.1]HEPTAN-2-ONE, 1,7,7-TRIMETHYL-3-(2-OXOPROPYL)-, (1R,3R,4R)-.cml