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851680-45-0 | Propanoic acid, 3-oxo-3-[[2-(1-pyrrolidinylsulfonyl)phenyl]amino]-
CAS No: 851680-45-0 Catalog No: AG004MXB MDL No:
Product Description
Catalog Number:
AG004MXB
Chemical Name:
Propanoic acid, 3-oxo-3-[[2-(1-pyrrolidinylsulfonyl)phenyl]amino]-
CAS Number:
851680-45-0
Molecular Formula:
C13H16N2O5S
Molecular Weight:
312.3415
IUPAC Name:
3-oxo-3-(2-pyrrolidin-1-ylsulfonylanilino)propanoic acid
InChI:
InChI=1S/C13H16N2O5S/c16-12(9-13(17)18)14-10-5-1-2-6-11(10)21(19,20)15-7-3-4-8-15/h1-2,5-6H,3-4,7-9H2,(H,14,16)(H,17,18)
InChI Key:
JMWLCKJPHVXBHS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1S(=O)(=O)N1CCCC1)CC(=O)O
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.34g/mol
Monoisotopic Mass:
312.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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