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Home > Pyridines > 181636-95-3
181636-95-3 | Benzenesulfonic acid, 4-(acetyloxy)-, compd. with pyridine (1:1) (9CI)
CAS No: 181636-95-3 Catalog No: AG0022ZZ MDL No:
Product Description
Catalog Number:
AG0022ZZ
Chemical Name:
Benzenesulfonic acid, 4-(acetyloxy)-, compd. with pyridine (1:1) (9CI)
CAS Number:
181636-95-3
IUPAC Name:
4-acetyloxybenzenesulfonic acid;pyridine
InChI:
InChI=1S/C8H8O5S.C5H5N/c1-6(9)13-7-2-4-8(5-3-7)14(10,11)12;1-2-4-6-5-3-1/h2-5H,1H3,(H,10,11,12);1-5H
InChI Key:
QOMRUKQECFBKDS-UHFFFAOYSA-N
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.309g/mol
Monoisotopic Mass:
295.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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