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1017051-55-6 | Benzoic acid, 5-methyl-2-[(methylsulfonyl)amino]-
CAS No: 1017051-55-6 Catalog No: AG00059E MDL No:MFCD09945630
Product Description
Catalog Number:
AG00059E
Chemical Name:
Benzoic acid, 5-methyl-2-[(methylsulfonyl)amino]-
CAS Number:
1017051-55-6
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD09945630
IUPAC Name:
2-(methanesulfonamido)-5-methylbenzoic acid
InChI:
InChI=1S/C9H11NO4S/c1-6-3-4-8(10-15(2,13)14)7(5-6)9(11)12/h3-5,10H,1-2H3,(H,11,12)
InChI Key:
IAVAVGYTZPNJLD-UHFFFAOYSA-N
SMILES:
Cc1ccc(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:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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