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Home > Aldehydes > 2060049-84-3
2060049-84-3 | 1-ethyl-3-(pyridin-4-yl)-1H-pyrrole-2-carbaldehyde
CAS No: 2060049-84-3 Catalog No: AG01BPAX MDL No:MFCD30500037
Product Description
Catalog Number:
AG01BPAX
Chemical Name:
1-ethyl-3-(pyridin-4-yl)-1H-pyrrole-2-carbaldehyde
CAS Number:
2060049-84-3
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD30500037
IUPAC Name:
1-ethyl-3-pyridin-4-ylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H12N2O/c1-2-14-8-5-11(12(14)9-15)10-3-6-13-7-4-10/h3-9H,2H2,1H3
InChI Key:
PVGJHEFDALYKPH-UHFFFAOYSA-N
SMILES:
O=Cc1n(CC)ccc1c1ccncc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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