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878424-30-7 | 2,5-Dimethyl-1-(pyridin-3-ylmethyl);-1H-pyrrole-3-carbaldehyde
CAS No: 878424-30-7 Catalog No: AG008CLE MDL No:MFCD07186504
Product Description
Catalog Number:
AG008CLE
Chemical Name:
2,5-Dimethyl-1-(pyridin-3-ylmethyl);-1H-pyrrole-3-carbaldehyde
CAS Number:
878424-30-7
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD07186504
IUPAC Name:
2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H14N2O/c1-10-6-13(9-16)11(2)15(10)8-12-4-3-5-14-7-12/h3-7,9H,8H2,1-2H3
InChI Key:
QCCWCMMYKNHTOT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)Cc1cccnc1)C
Properties
Complexity:
244
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:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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