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2060043-92-5 | 3-(4-formylphenyl)-1-methyl-1H-pyrrole-2-carbaldehyde
CAS No: 2060043-92-5 Catalog No: AG01BPA4 MDL No:MFCD30500008
Product Description
Catalog Number:
AG01BPA4
Chemical Name:
3-(4-formylphenyl)-1-methyl-1H-pyrrole-2-carbaldehyde
CAS Number:
2060043-92-5
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD30500008
IUPAC Name:
3-(4-formylphenyl)-1-methylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H11NO2/c1-14-7-6-12(13(14)9-16)11-4-2-10(8-15)3-5-11/h2-9H,1H3
InChI Key:
OKTIROUQVRYQTO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccn(c1C=O)C
Properties
Complexity:
259
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:
1.5
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