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1-Furfurylpyrrole

CAT: 1568-C11622Size: 25 µLDry Ice: NoHazardous: No
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CAT#:1568-C11622Size:25 µL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1438-94-4
Synonyms
N-Furfurylpyrrole
SKU
C11622-25ul
Target
Others
Applications
Others
Smiles
C1=CN (C=C1) CC2=CC=CO2
Molecular Formula
C9H9NO
Additionnal Information
1-Furfurylpyrrole (N-Furfurylpyrrole) is a potential contributor of flavor and aroma to popcorn.
Storage Conditions
2 years -20°C liquid

Chemical Information

1-Furfurylpyrrole

1-(2-Furanylmethyl)-1H-pyrrole is a member of pyrroles.

CAS Number1438-94-4
PubChem CID15037
IUPAC Name1-(furan-2-ylmethyl)pyrrole
Molecular FormulaC9H9NO
Molecular Weight147.17
XLogP1.4
Topological Polar Surface Area18.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity121
SMILES
C1=CN(C=C1)CC2=CC=CO2
InChI
InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2
InChIKey
BTBFUBUCCJKJOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Furfurylpyrrole
CAS: 1438-94-4
CID: 15037
Formula: C9H9NO
MW: 147.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.17
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass147.068413911
Monoisotopic Mass147.068413911
Topological Polar Surface Area18.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity121
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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