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Home > Aldehydes > 161560-66-3
161560-66-3 | 1H-Pyrrole-3-carboxaldehyde, 5-benzoyl-1-methyl-
CAS No: 161560-66-3 Catalog No: AG001VPA MDL No:
Product Description
Catalog Number:
AG001VPA
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 5-benzoyl-1-methyl-
CAS Number:
161560-66-3
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
5-benzoyl-1-methylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H11NO2/c1-14-8-10(9-15)7-12(14)13(16)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
VJCOAGCSMLVKRO-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c(c1)C(=O)c1ccccc1)C
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
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