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29754-47-0 | Benzenesulfonic acid, compd. with pyridine (1:1)
CAS No: 29754-47-0 Catalog No: AG002ZAX MDL No:
Product Description
Catalog Number:
AG002ZAX
Chemical Name:
Benzenesulfonic acid, compd. with pyridine (1:1)
CAS Number:
29754-47-0
Molecular Formula:
C11H11NO3S
Molecular Weight:
237.2749
IUPAC Name:
benzenesulfonic acid;pyridine
InChI:
InChI=1S/C6H6O3S.C5H5N/c7-10(8,9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H,(H,7,8,9);1-5H
InChI Key:
AZFMSHWYDZIRNV-UHFFFAOYSA-N
SMILES:
c1cccnc1.OS(=O)(=O)c1ccccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.273g/mol
Monoisotopic Mass:
237.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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