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Pyridine-Sulfur Trioxide Complex

CAT: 0572-TRC-P991560-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-P991560-25GSize:25 g
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CAS Number
26412-87-3
Synonyms
Sulfur Trioxide-Pyridine; SO3-Py
Hazard Statement
Harmful if swallowed; UN number: UN3261; Packing Group: II
Smiles
O=S(=O)=O.c1ccncc1
Molecular Formula
C5H5N.SO3
Molecular Weight
159.16
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sulfur trioxide-pyridine

See also: Pyridine, compound with sulfur trioxide (annotation moved to); Sulfur trioxide, compd. with pyridine (annotation moved to).

CAS Number26412-87-3
PubChem CID168533
IUPAC Namepyridine;sulfur trioxide
Molecular FormulaC5H5NO3S
Molecular Weight159.17
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity92
SMILES
C1=CC=NC=C1.O=S(=O)=O
InChI
InChI=1S/C5H5N.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H;
InChIKey
UDYFLDICVHJSOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfur trioxide-pyridine
CAS: 26412-87-3
CID: 168533
Formula: C5H5NO3S
MW: 159.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.17
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass158.99901420
Monoisotopic Mass158.99901420
Topological Polar Surface Area65.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity92.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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