139682-36-3
GARDENINE
Name
GARDENINE
Formula
C11 H13 N O4
MolWeight
223.227
1Identification
【Name】
GARDENINE
【CAS】
【MDL】
MFCD20260803
【English Synonyms】
【Formula】
C11 H13 N O4
【MolWeight】
223.227
【Inchi】
InChI=1S/C11H13NO4/c1-15-10(13)7-4-12-9-8-6(7)2-3-11(8,14)5-16-9/h2-4,6,8-9,12,14H,5H2,1H3/t6-,8-,9-,11-/m1/s1
【InChIKey】
InChIKey=QIGMCZARMNNIKC-PNHWDRBUSA-N
【SMILES】
COC(=O)C1=CN[C@H]2[C@H]3[C@@H]1C=C[C@]3(CO2)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
GARDENINE.cml
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