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Home > Other Building Blocks > 857422-43-6
857422-43-6 | 1H-Pyrrole-3-sulfonicacid, 1-acetyl-
CAS No: 857422-43-6 Catalog No: AG004S6Z MDL No:
Product Description
Catalog Number:
AG004S6Z
Chemical Name:
1H-Pyrrole-3-sulfonicacid, 1-acetyl-
CAS Number:
857422-43-6
Molecular Formula:
C6H7NO4S
Molecular Weight:
189.1891
IUPAC Name:
1-acetylpyrrole-3-sulfonic acid
InChI:
InChI=1S/C6H7NO4S/c1-5(8)7-3-2-6(4-7)12(9,10)11/h2-4H,1H3,(H,9,10,11)
InChI Key:
PHQCDEFVOIYZIS-UHFFFAOYSA-N
SMILES:
CC(=O)n1ccc(c1)S(=O)(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.185g/mol
Monoisotopic Mass:
189.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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