936801-46-6
5-(1,1-DIMETHYLETHYL)-2-METHOXY-3-[(METHYLSULFONYL)AMINO]BENZOIC ACID
Name5-(1,1-DIMETHYLETHYL)-2-METHOXY-3-[(METHYLSULFONYL)AMINO]BENZOIC ACID
1Identification
【Name】
5-(1,1-DIMETHYLETHYL)-2-METHOXY-3-[(METHYLSULFONYL)AMINO]BENZOIC ACID
【CAS】
【MDL】
MFCD17169976
【English Synonyms】
【Formula】
C13 H19 N O5 S
【MolWeight】
301.361
【Inchi】
InChI=1S/C13H19NO5S/c1-13(2,3)8-6-9(12(15)16)11(19-4)10(7-8)14-20(5,17)18/h6-7,14H,1-5H3,(H,15,16)
【InChIKey】
InChIKey=YRIVQLCOONVGTF-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1cc(c(c(c1)NS(=O)(=O)C)OC)C(=O)O
【MOL File】
5-(1,1-DIMETHYLETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(1,1-DIMETHYLETHYL)-2-METHOXY-3-[(METHYLSULFONYL)AMINO]BENZOIC ACID.cml