98559-12-7
1-CYCLOHEXENE-1-SULFONIC ACID, 2-HYDROXY-4,4-DIMETHYL-6-OXO-
Name1-CYCLOHEXENE-1-SULFONIC ACID, 2-HYDROXY-4,4-DIMETHYL-6-OXO-
1Identification
【Name】
1-CYCLOHEXENE-1-SULFONIC ACID, 2-HYDROXY-4,4-DIMETHYL-6-OXO-
【CAS】
【MDL】
MFCD17013969
【English Synonyms】
【Formula】
C8 H12 O5 S
【MolWeight】
220.244
【Inchi】
InChI=1S/C8H12O5S/c1-8(2)3-5(9)7(6(10)4-8)14(11,12)13/h9H,3-4H2,1-2H3,(H,11,12,13)
【InChIKey】
InChIKey=SSGDUAMQWJCQSJ-UHFFFAOYSA-N
【SMILES】
CC1(CC(=C(C(=O)C1)S(=O)(=O)O)O)C
【MOL File】
1-CYCLOHEXENE-1-SULF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-CYCLOHEXENE-1-SULFONIC ACID, 2-HYDROXY-4,4-DIMETHYL-6-OXO-.cml