84012-00-0
2-[[(2S,8R,9R)-3,5,9-三甲基-2-[1-甲基-2-羰基-2-(1H-吡咯-2-基)乙基]-1,7-二氧杂螺[5.5]十一烷-8-基]甲基]-1,3-苯并噁唑-4-羧酸
Name
2-[[(2S,8R,9R)-3,5,9-三甲基-2-[1-甲基-2-羰基-2-(1H-吡咯-2-基)乙基]-1,7-二氧杂螺[5.5]十一烷-8-基]甲基]-1,3-苯并噁唑-4-羧酸
pro_formula
C8 H11 N O3
pro_molWeight
169.179
1Identification
【Name】
2-[[(2S,8R,9R)-3,5,9-三甲基-2-[1-甲基-2-羰基-2-(1H-吡咯-2-基)乙基]-1,7-二氧杂螺[5.5]十一烷-8-基]甲基]-1,3-苯并噁唑-4-羧酸
【CAS】
【MDL】
MFCD18833444
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C8 H11 N O3
【pro_molWeight】
169.179
【Inchi】
InChI=1S/C8H11NO3/c1-12-8(11)6-3-2-5-4-7(10)9(5)6/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
【InChIKey】
InChIKey=XARUTHCTRHHHFN-WDSKDSINSA-N
【SMILES】
COC(=O)[C@@H]1CC[C@@H]2N1C(=O)C2
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[(2S,8R,9R)-3,5,9-三甲基-2-[1-甲基-2-羰基-2-(1H-吡咯-2-基)乙基]-1,7-二氧杂螺[5.5]十一烷-8-基]甲基]-1,3-苯并噁唑-4-羧酸.cml
quick_release
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