31375-17-4
NERONE
Name
NERONE
Formula
C13 H22 O
MolWeight
194.316
1Identification
【Name】
NERONE
【CAS】
【MDL】
MFCD01117656
【English Synonyms】
【Formula】
C13 H22 O
【MolWeight】
194.316
【Inchi】
InChI=1S/C13H22O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6,9,11-12H,5,7-8H2,1-4H3
【InChIKey】
InChIKey=DZSVIVLGBJKQAP-UHFFFAOYSA-N
【SMILES】
CCC(=O)C1CC(CC=C1C)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
NERONE.cml
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