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1192-58-1 | 1H-Pyrrole-2-carboxaldehyde, 1-methyl-
CAS No: 1192-58-1 Catalog No: AG000ICG MDL No:MFCD00003087
Product Description
Catalog Number:
AG000ICG
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-methyl-
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 |
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