841275-85-2
3-[(1-ACETYL-2,3-DIHYDRO-1H-INDOL-5-YL)SULFONYL]PROPANOIC ACID
Name3-[(1-ACETYL-2,3-DIHYDRO-1H-INDOL-5-YL)SULFONYL]PROPANOIC ACID
1Identification
【Name】
3-[(1-ACETYL-2,3-DIHYDRO-1H-INDOL-5-YL)SULFONYL]PROPANOIC ACID
【CAS】
【MDL】
MFCD09893531
【English Synonyms】
【Formula】
C13 H15 N O5 S
【MolWeight】
297.329
【Inchi】
InChI=1S/C13H15NO5S/c1-9(15)14-6-4-10-8-11(2-3-12(10)14)20(18,19)7-5-13(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)
【InChIKey】
InChIKey=PWTILJQVZSJQRY-UHFFFAOYSA-N
【SMILES】
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)CCC(=O)O
【MOL File】
3-[(1-ACETYL-2,3-DIH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[(1-ACETYL-2,3-DIHYDRO-1H-INDOL-5-YL)SULFONYL]PROPANOIC ACID.cml