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Chemical structure of Pyrrole-2-carboxaldehyde

GC63162

Pyrrole-2-carboxaldehyde

Also known as 1H-pyrrole-2-carbaldehyde

Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase

ChemicalCAS1003-29-8MW95.1FormulaC5H5NO
CAS number
1003-29-8
Molecular weight
95.1
Formula
C5H5NO
Solubility
DMSO : 100 mg/mL (1051·52 mM; Need ultrasonic)
InChIKey
ZSKGQVFRTSEPJT-UHFFFAOYSA-N
Catalogue number
GC63162
Brand
GLPBIO
Computed properties PubChem CID 13854 · XLogP 0.6 · TPSA 32.9 Ų · H-bond donors 1
XLogP
0.6
TPSA
32.9 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
7

SMILES C1=CNC(=C1)C=O

Computed descriptors from PubChem (CID 13854), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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