89001-58-1
5-[(DIMETHYLAMINO)SULFONYL]-2-METHYLBENZOIC ACID
Name5-[(DIMETHYLAMINO)SULFONYL]-2-METHYLBENZOIC ACID
1Identification
【Name】
5-[(DIMETHYLAMINO)SULFONYL]-2-METHYLBENZOIC ACID
【CAS】
【MDL】
MFCD06353543
【English Synonyms】
【Formula】
C10 H13 N O4 S
【MolWeight】
243.282
【Inchi】
InChI=1S/C10H13NO4S/c1-7-4-5-8(6-9(7)10(12)13)16(14,15)11(2)3/h4-6H,1-3H3,(H,12,13)
【InChIKey】
InChIKey=RAVFMMUDGWITRR-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C(=O)O)S(=O)(=O)N(C)C
【MOL File】
5-[(DIMETHYLAMINO)SU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(DIMETHYLAMINO)SULFONYL]-2-METHYLBENZOIC ACID.cml