527-76-4
4-AMINO-2-SULFOBENZOIC ACID
Name
4-AMINO-2-SULFOBENZOIC ACID
Formula
C7 H7 N O5 S
MolWeight
217.2
1Identification
【Name】
4-AMINO-2-SULFOBENZOIC ACID
【CAS】
【MDL】
MFCD07779293
【English Synonyms】
【Formula】
C7 H7 N O5 S
【MolWeight】
217.2
【Inchi】
InChI=1S/C7H7NO5S/c8-4-1-2-5(7(9)10)6(3-4)14(11,12)13/h1-3H,8H2,(H,9,10)(H,11,12,13)
【InChIKey】
InChIKey=YPNUYFJLBFZDTE-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1N)S(=O)(=O)O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-AMINO-2-SULFOBENZOIC ACID.cml
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