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141369-96-2 | Benzenesulfonic acid, [(dimethylamino)methyl]- (9CI)
CAS No: 141369-96-2 Catalog No: AG001GC3 MDL No:
Product Description
Catalog Number:
AG001GC3
Chemical Name:
Benzenesulfonic acid, [(dimethylamino)methyl]- (9CI)
CAS Number:
141369-96-2
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
IUPAC Name:
2-[(dimethylamino)methyl]benzenesulfonic acid
InChI:
InChI=1S/C9H13NO3S/c1-10(2)7-8-5-3-4-6-9(8)14(11,12)13/h3-6H,7H2,1-2H3,(H,11,12,13)
InChI Key:
AKDNAXPYVZCBFH-UHFFFAOYSA-N
SMILES:
CN(Cc1ccccc1S(=O)(=O)O)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.267g/mol
Monoisotopic Mass:
215.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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