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Home Aldehydes 1H-Pyrrole-3-carbaldehyde

1H-Pyrrole-3-carbaldehyde

CAS No.:
7126-39-8
Catalog Number:
AG0035K0
Molecular Formula:
C5H5NO
Molecular Weight:
95.0993
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$60
- +
5g
>97%
In Stock USA
United States
$153
- +
10g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$507
- +
Product Description
Catalog Number:
AG0035K0
Chemical Name:
1H-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
Properties