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Pyrrole

CAT: 0203-29714-12Size: 25 mLDry Ice: NoHazardous: Yes
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CAT#:0203-29714-12Size:25 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
109-97-7
UN Code
1993
Purity
≧ 99.0% (GC)
Storage Conditions
Room Temperature
Grade
GR (Guaranteed Reagent)

Chemical Information

Pyrrole

1H-pyrrole is a tautomer of pyrrole that has the double bonds at positions 2 and 4. It is a secondary amine and a pyrrole. It is a tautomer of a 3H-pyrrole and a 2H-pyrrole.

CAS Number109-97-7
PubChem CID8027
IUPAC Name1H-pyrrole
Molecular FormulaC4H5N
Molecular Weight67.09
XLogP0.7
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity22
SMILES
C1=CNC=C1
InChI
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
InChIKey
KAESVJOAVNADME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrrole
CAS: 109-97-7
CID: 8027
Formula: C4H5N
MW: 67.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight67.09
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass67.042199164
Monoisotopic Mass67.042199164
Topological Polar Surface Area15.8 Ų
Heavy Atom Count5
Formal Charge0
Complexity22.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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