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80866-95-1 | 3-((1H-Pyrrol-1-yl)methyl)pyridine
CAS No: 80866-95-1 Catalog No: AG003IA3 MDL No:MFCD00006405
Product Description
Catalog Number:
AG003IA3
Chemical Name:
3-((1H-Pyrrol-1-yl)methyl)pyridine
CAS Number:
80866-95-1
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD00006405
IUPAC Name:
3-(pyrrol-1-ylmethyl)pyridine
InChI:
InChI=1S/C10H10N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h1-8H,9H2
InChI Key:
PJVWPGGKILHMKW-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)Cn1cccc1
EC Number:
279-598-2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Dibenzoatobis[3-(pyrrol-1-ylmeth-yl)pyridine]-zinc(II). | Acta crystallographica. Section E, Structure reports online 20100801 |
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