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Home Aldehydes 1-Methyl-1H-pyrrole-2-carbaldehyde

1-Methyl-1H-pyrrole-2-carbaldehyde

CAS No.:
1192-58-1
Catalog Number:
AG000ICG
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG000ICG
Chemical Name:
1-Methyl-1H-pyrrole-2-carbaldehyde
CAS Number:
1192-58-1
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00003087
IUPAC Name:
1-methylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3
InChI Key:
OUKQTRFCDKSEPL-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1C
EC Number:
214-755-0
UNII:
M0HYH3D7SX
NSC Number:
72386
FEMA Number:
4332
Properties
Complexity:
92.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
2-[(1-Methyl-1H-pyrrol-2-yl)methyl-idene]propane-dinitrile. Acta crystallographica. Section E, Structure reports online 20120401
A combined experimental and computational thermodynamic study of the isomers of pyrrolecarboxaldehyde and 1-methyl- pyrrolecarboxaldehyde. The journal of physical chemistry. B 20111103
(E)-3-(1-Methyl-1H-pyrrol-2-yl)-1-phenyl-prop-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20110401
N-[(Z)-(1-Methyl-1H-pyrrol-2-yl)methyl-idene]-1H-1,2,4-triazol-5-amine. Acta crystallographica. Section E, Structure reports online 20090101
Diethyl 2-[(1-methyl-1H-pyrrol-2-yl)methyl-ene-amino]-5-(2-thienylmethyl-ene-amino)thio-phene-3,4-dicarboxyl-ate. Acta crystallographica. Section E, Structure reports online 20080501
11-Methyl-2,3-benzodipyrrin-1-one. Acta crystallographica. Section C, Crystal structure communications 20041201
Effect of the pyrrole polymerization mechanism on the antioxidative activity of nonenzymatic browning reactions. Journal of agricultural and food chemistry 20030910
Antioxidative activity of heterocyclic compounds found in coffee volatiles produced by Maillard reaction. Journal of agricultural and food chemistry 20020911
Properties