58497-00-0
PROCINONIDE
Name
PROCINONIDE
Formula
C27 H34 F2 O7
MolWeight
508.555
1Identification
【Name】
PROCINONIDE
【CAS】
【MDL】
MFCD00200408
【English Synonyms】
【Formula】
C27 H34 F2 O7
【MolWeight】
508.555
【Inchi】
InChI=1S/C27H34F2O7/c1-6-22(33)34-13-20(32)27-21(35-23(2,3)36-27)11-15-16-10-18(28)17-9-14(30)7-8-24(17,4)26(16,29)19(31)12-25(15,27)5/h7-9,15-16,18-19,21,31H,6,10-13H2,1-5H3/t15-,16-,18-,19-,21+,24-,25-,26-,27+/m0/s1
【InChIKey】
InChIKey=UBOIMZIXNXGQOH-RTWVSBIPSA-N
【SMILES】
CCC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PROCINONIDE.cml
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