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1243391-74-3 | Benzoic acid, 5-hydroxy-2-[(methylsulfonyl)amino]-
CAS No: 1243391-74-3 Catalog No: AG000LVN MDL No:MFCD14660388
Product Description
Catalog Number:
AG000LVN
Chemical Name:
Benzoic acid, 5-hydroxy-2-[(methylsulfonyl)amino]-
CAS Number:
1243391-74-3
Molecular Formula:
C8H9NO5S
Molecular Weight:
231.2258
MDL Number:
MFCD14660388
IUPAC Name:
5-hydroxy-2-(methanesulfonamido)benzoic acid
InChI:
InChI=1S/C8H9NO5S/c1-15(13,14)9-7-3-2-5(10)4-6(7)8(11)12/h2-4,9-10H,1H3,(H,11,12)
InChI Key:
BHMXDAMTDRRCKQ-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(=O)O)NS(=O)(=O)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.222g/mol
Monoisotopic Mass:
231.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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