342578-12-5
(1R,4R)-4-(1,1-DIMETHYLETHYLSULFONAMIDO)-CYCLOHEXANECARBOXYLIC ACID
Name(1R,4R)-4-(1,1-DIMETHYLETHYLSULFONAMIDO)-CYCLOHEXANECARBOXYLIC ACID
1Identification
【Name】
(1R,4R)-4-(1,1-DIMETHYLETHYLSULFONAMIDO)-CYCLOHEXANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD17011838
【English Synonyms】
【Formula】
C11 H21 N O4 S
【MolWeight】
263.356
【Inchi】
InChI=1S/C11H21NO4S/c1-11(2,3)17(15,16)12-9-6-4-8(5-7-9)10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)/t8-,9-
【InChIKey】
InChIKey=YGQHGJMTFCIGEP-KYZUINATSA-N
【SMILES】
CC(C)(C)S(=O)(=O)N[C@@H]1CC[C@H](CC1)C(=O)O
【MOL File】
(1R,4R)-4-(1,1-DIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(1R,4R)-4-(1,1-DIMETHYLETHYLSULFONAMIDO)-CYCLOHEXANECARBOXYLIC ACID.cml