845294-02-2
CYCLOPROPA[CD]PENTALEN-2(1H)-ONE, 3-ETHENYLHEXAHYDRO-1,1-DIMETHYL-, (2AR,2BR,3R,4AS,4BR)-REL-
NameCYCLOPROPA[CD]PENTALEN-2(1H)-ONE, 3-ETHENYLHEXAHYDRO-1,1-DIMETHYL-, (2AR,2BR,3R,4AS,4BR)-REL-
1Identification
【Name】
CYCLOPROPA[CD]PENTALEN-2(1H)-ONE, 3-ETHENYLHEXAHYDRO-1,1-DIMETHYL-, (2AR,2BR,3R,4AS,4BR)-REL-
【CAS】
【MDL】
MFCD17017872
【English Synonyms】
【Formula】
C12H16O
【MolWeight】
176.257
【Inchi】
InChI=1S/C12H16O/c1-4-6-5-7-9-8(6)10(9)11(13)12(7,2)3/h4,6-10H,1,5H2,2-3H3/t6-,7-,8-,9-,10-/m1/s1
【InChIKey】
InChIKey=URHOPRSCXWJKTI-VVULQXIFSA-N
【SMILES】
[H][C@@]12[C@@H](C[C@]3([H])[C@@]1([H])[C@]2([H])C(=O)C3(C)C)C=C
【MOL File】
CYCLOPROPA[CD]PENTAL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.595
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOPROPA[CD]PENTALEN-2(1H)-ONE, 3-ETHENYLHEXAHYDRO-1,1-DIMETHYL-, (2AR,2BR,3R,4AS,4BR)-REL-.cml