42274-61-3
1-PROPANOL, 2-[(TETRAHYDRO-2H-PYRAN-2-YL)OXY]-, 4-METHYLBENZENESULFONATE, (2S)-
Name1-PROPANOL, 2-[(TETRAHYDRO-2H-PYRAN-2-YL)OXY]-, 4-METHYLBENZENESULFONATE, (2S)-
1Identification
【Name】
1-PROPANOL, 2-[(TETRAHYDRO-2H-PYRAN-2-YL)OXY]-, 4-METHYLBENZENESULFONATE, (2S)-
【CAS】
【MDL】
MFCD17011842
【English Synonyms】
【Formula】
C15 H22 O5 S
【MolWeight】
314.4
【Inchi】
InChI=1S/C15H22O5S/c1-12-6-8-14(9-7-12)21(16,17)19-11-13(2)20-15-5-3-4-10-18-15/h6-9,13,15H,3-5,10-11H2,1-2H3/t13-,15?/m0/s1
【InChIKey】
InChIKey=CIRBILLHZJTIAZ-CFMCSPIPSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)OC[C@H](C)OC2CCCCO2
【MOL File】
1-PROPANOL, 2-[(TETR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-PROPANOL, 2-[(TETRAHYDRO-2H-PYRAN-2-YL)OXY]-, 4-METHYLBENZENESULFONATE, (2S)-.cml