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3614-77-5 | 1H-Pyrrole-2-carboxaldehyde, 1-methyl-5-(3-pyridinyl)-
CAS No: 3614-77-5 Catalog No: AG007B8G MDL No:
Product Description
Catalog Number:
AG007B8G
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-methyl-5-(3-pyridinyl)-
CAS Number:
3614-77-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
1-methyl-5-pyridin-3-ylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c1-13-10(8-14)4-5-11(13)9-3-2-6-12-7-9/h2-8H,1H3
InChI Key:
LLDGJLXKKIAYBN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(n1C)c1cccnc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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