53-45-2
1,3,5(10)-ESTRATRIEN-17-ONE
Name
1,3,5(10)-ESTRATRIEN-17-ONE
Formula
C18 H22 O
MolWeight
254.371
1Identification
【Name】
1,3,5(10)-ESTRATRIEN-17-ONE
【CAS】
【MDL】
MFCD00869287
【English Synonyms】
【Formula】
C18 H22 O
【MolWeight】
254.371
【Inchi】
InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1
【InChIKey】
InChIKey=LGHBWDKMGOIZKH-CBZIJGRNSA-N
【SMILES】
C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CCC2=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,5(10)-ESTRATRIEN-17-ONE.cml
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