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821791-98-4 | Glycine, N-[[2-[(4-sulfophenyl)sulfonyl]ethoxy]carbonyl]-
CAS No: 821791-98-4 Catalog No: AG005I63 MDL No:
Product Description
Catalog Number:
AG005I63
Chemical Name:
Glycine, N-[[2-[(4-sulfophenyl)sulfonyl]ethoxy]carbonyl]-
CAS Number:
821791-98-4
Molecular Formula:
C11H13NO9S2
Molecular Weight:
367.3522
IUPAC Name:
2-[2-(4-sulfophenyl)sulfonylethoxycarbonylamino]acetic acid
InChI:
InChI=1S/C11H13NO9S2/c13-10(14)7-12-11(15)21-5-6-22(16,17)8-1-3-9(4-2-8)23(18,19)20/h1-4H,5-7H2,(H,12,15)(H,13,14)(H,18,19,20)
InChI Key:
GNHARVYAJKWZAQ-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)OCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.003g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
367.343g/mol
Monoisotopic Mass:
367.003g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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