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885268-98-4 | (m-Tolylsulfonyl)glycine
CAS No: 885268-98-4 Catalog No: AG01FN0W MDL No:MFCD06409393
Product Description
Catalog Number:
AG01FN0W
Chemical Name:
(m-Tolylsulfonyl)glycine
CAS Number:
885268-98-4
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD06409393
IUPAC Name:
2-[(3-methylphenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C9H11NO4S/c1-7-3-2-4-8(5-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChI Key:
LLWHUIBFHVGSNA-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1cccc(c1)C
Properties
Complexity:
320
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:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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