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148257-12-9
BOC-3-ENDO-AMINOBICYCLO[2.2.1]-HEPT-5-ENE-2-ENDO-CARBOXYLIC ACID
Name
BOC-3-ENDO-AMINOBICYCLO[2.2.1]-HEPT-5-ENE-2-ENDO-CARBOXYLIC ACID
Formula
C13 H19 N O4
MolWeight
253.296
1Identification
【Name】
BOC-3-ENDO-AMINOBICYCLO[2.2.1]-HEPT-5-ENE-2-ENDO-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD02682615
【English Synonyms】
【Formula】
C13 H19 N O4
【MolWeight】
253.296
【Inchi】
InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h4-5,7-10H,6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9-,10+/m1/s1
【InChIKey】
InChIKey=ZPMJBHUNSHDFPT-RGOKHQFPSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@H]1[C@@H]2C[C@H]([C@H]1C(=O)O)C=C2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
BOC-3-ENDO-AMINOBICYCLO[2.2.1]-HEPT-5-ENE-2-ENDO-CARBOXYLIC ACID.cml
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