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Home > Aldehydes > 128843-58-3
128843-58-3 | 1H-Pyrrole-2-carboxaldehyde, 4-benzoyl-1-methyl-
CAS No: 128843-58-3 Catalog No: AG000YET MDL No:MFCD00172168
Product Description
Catalog Number:
AG000YET
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 4-benzoyl-1-methyl-
CAS Number:
128843-58-3
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD00172168
IUPAC Name:
4-benzoyl-1-methylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H11NO2/c1-14-8-11(7-12(14)9-15)13(16)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
WDCINSJQPIINCX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cn1C)C(=O)c1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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