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7126-39-8 | Pyrrole-3-carbaldehyde
CAS No: 7126-39-8 Catalog No: AG0035K0 MDL No:MFCD03426733
Product Description
Catalog Number:
AG0035K0
Chemical Name:
Pyrrole-3-carbaldehyde
CAS Number:
7126-39-8
Molecular Formula:
C5H5NO
Molecular Weight:
95.0993
MDL Number:
MFCD03426733
IUPAC Name:
1H-pyrrole-3-carbaldehyde
InChI:
InChI=1S/C5H5NO/c7-4-5-1-2-6-3-5/h1-4,6H
InChI Key:
CHNYVNOFAWYUEG-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]cc1
Properties
Complexity:
72.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
95.101g/mol
Monoisotopic Mass:
95.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Submerged fermentation of the edible mushroom Pleurotus ostreatus in a batch stirred tank bioreactor as a promising alternative for the effective production of bioactive metabolites. | Molecules (Basel, Switzerland) 20120306 |
| A combined experimental and computational thermodynamic study of the isomers of pyrrolecarboxaldehyde and 1-methyl- pyrrolecarboxaldehyde. | The journal of physical chemistry. B 20111103 |
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