7402-82-6
Benzoic acid, 4-[(4-methylphenyl)sulfonyl]-
NameBenzoic acid, 4-[(4-methylphenyl)sulfonyl]-
1Identification
【Name】
Benzoic acid, 4-[(4-methylphenyl)sulfonyl]-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C14H12O4S
【MolWeight】
276.308
【Inchi】
InChI=1S/C14H12O4S/c1-10-2-6-12(7-3-10)19(17,18)13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H,15,16)
【InChIKey】
InChIKey=IJMMZCCKPZRGOU-UHFFFAOYSA-N
【SMILES】
CC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C(=O)O)C=C1
【MOL File】
Benzoic acid, 4-[(4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
Benzoic acid, 4-[(4-methylphenyl)sulfonyl]-.cml