524961-59-9
4-(METHYLSULFANYL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID
Name4-(METHYLSULFANYL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID
1Identification
【Name】
4-(METHYLSULFANYL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD18073320
【English Synonyms】
【Formula】
C10 H16 O2 S
【MolWeight】
200.3
【Inchi】
InChI=1S/C10H16O2S/c1-13-10-5-2-9(3-6-10,4-7-10)8(11)12/h2-7H2,1H3,(H,11,12)
【InChIKey】
InChIKey=XPRHTCGCYHTFAE-UHFFFAOYSA-N
【SMILES】
CSC12CCC(CC1)(CC2)C(=O)O
【MOL File】
4-(METHYLSULFANYL)BI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(METHYLSULFANYL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID.cml