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29636-27-9 | Benzoic acid, 2-amino-5-[(methylamino)sulfonyl]-
CAS No: 29636-27-9 Catalog No: AG002YYR MDL No:
Product Description
Catalog Number:
AG002YYR
Chemical Name:
Benzoic acid, 2-amino-5-[(methylamino)sulfonyl]-
CAS Number:
29636-27-9
Molecular Formula:
C8H10N2O4S
Molecular Weight:
230.2410
IUPAC Name:
2-amino-5-(methylsulfamoyl)benzoic acid
InChI:
InChI=1S/C8H10N2O4S/c1-10-15(13,14)5-2-3-7(9)6(4-5)8(11)12/h2-4,10H,9H2,1H3,(H,11,12)
InChI Key:
QXUKFVKOZBAWHO-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc(c(c1)C(=O)O)N
EC Number:
249-737-1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.238g/mol
Monoisotopic Mass:
230.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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