732252-83-4
CIS-3-(4-FLUOROBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID
NameCIS-3-(4-FLUOROBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID
1Identification
【Name】
CIS-3-(4-FLUOROBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01311179
【English Synonyms】
【Formula】
C13 H13 F O3
【MolWeight】
236.241
【Inchi】
InChI=1S/C13H13FO3/c14-11-5-3-8(4-6-11)12(15)9-1-2-10(7-9)13(16)17/h3-6,9-10H,1-2,7H2,(H,16,17)/t9-,10+/m0/s1
【InChIKey】
InChIKey=HMFMKSSMIQQTAZ-VHSXEESVSA-N
【SMILES】
c1cc(ccc1C(=O)[C@H]2CC[C@H](C2)C(=O)O)F
【MOL File】
CIS-3-(4-FLUOROBENZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-3-(4-FLUOROBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID.cml