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Home > Imidazoles > 899699-51-5
899699-51-5 | N-(1H-imidazol-4-ylsulfonyl)-N-methylglycine
CAS No: 899699-51-5 Catalog No: AG00J4QU MDL No:MFCD12027295
Product Description
Catalog Number:
AG00J4QU
Chemical Name:
N-(1H-imidazol-4-ylsulfonyl)-N-methylglycine
CAS Number:
899699-51-5
Molecular Formula:
C6H9N3O4S
Molecular Weight:
219.2184
MDL Number:
MFCD12027295
IUPAC Name:
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetic acid
InChI:
InChI=1S/C6H9N3O4S/c1-9(3-6(10)11)14(12,13)5-2-7-4-8-5/h2,4H,3H2,1H3,(H,7,8)(H,10,11)
InChI Key:
LVBYKMXLPBIDSP-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)c1nc[nH]c1)CC(=O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.215g/mol
Monoisotopic Mass:
219.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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