733740-33-5
CIS-3-[2-(3-BROMOPHENYL)-2-OXOETHYL]CYCLOPENTANE-1-CARBOXYLIC ACID
NameCIS-3-[2-(3-BROMOPHENYL)-2-OXOETHYL]CYCLOPENTANE-1-CARBOXYLIC ACID
1Identification
【Name】
CIS-3-[2-(3-BROMOPHENYL)-2-OXOETHYL]CYCLOPENTANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01319724
【English Synonyms】
【Formula】
C14 H15 Br O3
【MolWeight】
311.173
【Inchi】
InChI=1S/C14H15BrO3/c15-12-3-1-2-10(8-12)13(16)7-9-4-5-11(6-9)14(17)18/h1-3,8-9,11H,4-7H2,(H,17,18)/t9-,11+/m0/s1
【InChIKey】
InChIKey=NCKYAKWDLTVLKC-GXSJLCMTSA-N
【SMILES】
c1cc(cc(c1)Br)C(=O)C[C@H]2CC[C@H](C2)C(=O)O
【MOL File】
CIS-3-[2-(3-BROMOPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-3-[2-(3-BROMOPHENYL)-2-OXOETHYL]CYCLOPENTANE-1-CARBOXYLIC ACID.cml