97-31-4
二环[2.2.1]庚烷-2-甲酰胺,3-氨基-, (1R,2S,3R,4S)-rel- (9CI)
Name
二环[2.2.1]庚烷-2-甲酰胺,3-氨基-, (1R,2S,3R,4S)-rel- (9CI)
pro_formula
C9 H13 N O3
pro_molWeight
183.206
1Identification
【Name】
二环[2.2.1]庚烷-2-甲酰胺,3-氨基-, (1R,2S,3R,4S)-rel- (9CI)
【CAS】
【MDL】
MFCD09041736
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C9 H13 N O3
【pro_molWeight】
183.206
【Inchi】
InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3
【InChIKey】
InChIKey=YNYAYWLBAHXHLL-UHFFFAOYSA-N
【SMILES】
COc1cc(ccc1O)C(CN)O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
二环[2.2.1]庚烷-2-甲酰胺,3-氨基-, (1R,2S,3R,4S)-rel- (9CI).cml
quick_release
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