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7651-18-5 | Ethanesulfonic acid, 2-[(1-oxo-2-propenyl)amino]-
CAS No: 7651-18-5 Catalog No: AG005BLK MDL No:
Product Description
Catalog Number:
AG005BLK
Chemical Name:
Ethanesulfonic acid, 2-[(1-oxo-2-propenyl)amino]-
CAS Number:
7651-18-5
Molecular Formula:
C5H9NO4S
Molecular Weight:
179.1943
IUPAC Name:
2-(prop-2-enoylamino)ethanesulfonic acid
InChI:
InChI=1S/C5H9NO4S/c1-2-5(7)6-3-4-11(8,9)10/h2H,1,3-4H2,(H,6,7)(H,8,9,10)
InChI Key:
UVDYBBRVDUKNFV-UHFFFAOYSA-N
SMILES:
C=CC(=O)NCCS(=O)(=O)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.19g/mol
Monoisotopic Mass:
179.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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