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Home > Aldehydes > 876717-21-4
876717-21-4 | 2,5-Dimethyl-1-(5-methyl-pyridin-2-yl)-1H-pyrrole-3-carbaldehyde
CAS No: 876717-21-4 Catalog No: AG01EY3A MDL No:
Product Description
Catalog Number:
AG01EY3A
Chemical Name:
2,5-Dimethyl-1-(5-methyl-pyridin-2-yl)-1H-pyrrole-3-carbaldehyde
CAS Number:
876717-21-4
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H14N2O/c1-9-4-5-13(14-7-9)15-10(2)6-12(8-16)11(15)3/h4-8H,1-3H3
InChI Key:
FEMPWCOWGBYEPQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1ccc(cn1)C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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