5164-78-3
TABANONE
Name
TABANONE
Formula
C13 H18 O
MolWeight
190.284
1Identification
【Name】
TABANONE
【CAS】
13215-88-8
;5164-78-3
【MDL】
MFCD09751414
【English Synonyms】
【Formula】
C13 H18 O
【MolWeight】
190.284
【Inchi】
InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7-
【InChIKey】
InChIKey=CBQXHTWJSZXYSK-DFTQQVSXSA-N
【SMILES】
C/C=C/C=C\1/C(=CC(=O)CC1(C)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TABANONE.cml
Quick Release
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