528588-17-2
3-OXABICYCLO[3.1.0]HEXAN-2-ONE, 4-ETHYL-1-(2-FLUOROPHENYL)-, (1S,4S,5R)-
Name
3-OXABICYCLO[3.1.0]HEXAN-2-ONE, 4-ETHYL-1-(2-FLUOROPHENYL)-, (1S,4S,5R)-
Formula
C13 H13 F O2
MolWeight
220.242
1Identification
【Name】
3-OXABICYCLO[3.1.0]HEXAN-2-ONE, 4-ETHYL-1-(2-FLUOROPHENYL)-, (1S,4S,5R)-
【CAS】
【MDL】
MFCD18832182
【English Synonyms】
【Formula】
C13 H13 F O2
【MolWeight】
220.242
【Inchi】
InChI=1S/C13H13FO2/c1-2-11-9-7-13(9,12(15)16-11)8-5-3-4-6-10(8)14/h3-6,9,11H,2,7H2,1H3/t9-,11-,13+/m0/s1
【InChIKey】
InChIKey=UCJQVQOJMILTQP-XHVZSJERSA-N
【SMILES】
CC[C@H]1[C@@H]2C[C@@]2(C(=O)O1)c3ccccc3F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-OXABICYCLO[3.1.0]HEXAN-2-ONE, 4-ETHYL-1-(2-FLUOROPHENYL)-, (1S,4S,5R)-.cml
Quick Release
PYRROLO[1,2-A]PYRAZINE-1,4-DIONE, HEXAHYDRO-7-HYDROXY-3-METHYL-, (3R,7S,8AR)-
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5-NORBORNENE-2-ENDO,3-EXO-DICARBOXYLIC ACID
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