5696-06-0
METHETOIN
Name
METHETOIN
Formula
C12 H14 N2 O2
MolWeight
218.255
1Identification
【Name】
METHETOIN
【CAS】
【MDL】
MFCD00865291
【English Synonyms】
【Formula】
C12 H14 N2 O2
【MolWeight】
218.255
【Inchi】
InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)13-11(16)14(12)2/h4-8H,3H2,1-2H3,(H,13,15,16)
【InChIKey】
InChIKey=NEGMMKYAVYNLCG-UHFFFAOYSA-N
【SMILES】
CCC1(C(=O)NC(=O)N1C)c2ccccc2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHETOIN.cml
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