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851680-27-8 | Glycine, N-[4-[(propylsulfonyl)amino]phenyl]-
CAS No: 851680-27-8 Catalog No: AG004MXC MDL No:
Product Description
Catalog Number:
AG004MXC
Chemical Name:
Glycine, N-[4-[(propylsulfonyl)amino]phenyl]-
CAS Number:
851680-27-8
Molecular Formula:
C11H16N2O4S
Molecular Weight:
272.3207
IUPAC Name:
2-[4-(propylsulfonylamino)anilino]acetic acid
InChI:
InChI=1S/C11H16N2O4S/c1-2-7-18(16,17)13-10-5-3-9(4-6-10)12-8-11(14)15/h3-6,12-13H,2,7-8H2,1H3,(H,14,15)
InChI Key:
ONFTXUJEIJLBIT-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)Nc1ccc(cc1)NCC(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.319g/mol
Monoisotopic Mass:
272.083g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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