516509-35-6
1-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLIDENE)-2-BUTANONE
Name1-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLIDENE)-2-BUTANONE
1Identification
【Name】
1-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLIDENE)-2-BUTANONE
【CAS】
【MDL】
MFCD18836228
【English Synonyms】
【Formula】
C13 H20 O
【MolWeight】
192.3
【Inchi】
InChI=1S/C13H20O/c1-4-11(14)8-12-9-5-6-10(7-9)13(12,2)3/h8-10H,4-7H2,1-3H3/b12-8-
【InChIKey】
InChIKey=DNIFRIKGJRQMOR-WQLSENKSSA-N
【SMILES】
CCC(=O)/C=C\1/C2CCC(C2)C1(C)C
【MOL File】
1-(3,3-DIMETHYLBICYC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLIDENE)-2-BUTANONE.cml