73927-65-8
3-ALPHA-TROPANYL 5H-DIBENZO(A,D)CYCLOHEPTEN-10-CARBOXYLATE HYDROGEN FU MARATE
Name3-ALPHA-TROPANYL 5H-DIBENZO(A,D)CYCLOHEPTEN-10-CARBOXYLATE HYDROGEN FU MARATE
FormulaC24 H25 N O2 . C4 H4 O4
1Identification
【Name】
3-ALPHA-TROPANYL 5H-DIBENZO(A,D)CYCLOHEPTEN-10-CARBOXYLATE HYDROGEN FU MARATE
【CAS】
【MDL】
MFCD01731157
【English Synonyms】
【Formula】
C24 H25 N O2 . C4 H4 O4
【MolWeight】
475.538
【Inchi】
InChI=1S/C24H25NO2.C4H4O4/c1-25-19-10-11-20(25)15-21(14-19)27-24(26)23-13-17-7-3-2-6-16(17)12-18-8-4-5-9-22(18)23;5-3(6)1-2-4(7)8/h2-9,13,19-21H,10-12,14-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20+,21+;
【InChIKey】
InChIKey=VWWZQLJHOLAHJR-QTDXWYRUSA-N
【SMILES】
CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C3=Cc4ccccc4Cc5c3cccc5.C(=C/C(=O)O)\C(=O)O
【MOL File】
3-ALPHA-TROPANYL 5H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ALPHA-TROPANYL 5H-DIBENZO(A,D)CYCLOHEPTEN-10-CARBOXYLATE HYDROGEN FU MARATE.cml