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15770-21-5 | Methanone, di-1H-pyrrol-2-yl-
CAS No: 15770-21-5 Catalog No: AG001PN1 MDL No:
Product Description
Catalog Number:
AG001PN1
Chemical Name:
Methanone, di-1H-pyrrol-2-yl-
CAS Number:
15770-21-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
bis(1H-pyrrol-2-yl)methanone
InChI:
InChI=1S/C9H8N2O/c12-9(7-3-1-5-10-7)8-4-2-6-11-8/h1-6,10-11H
InChI Key:
DKEKURXRUXRNES-UHFFFAOYSA-N
SMILES:
O=C(c1ccc[nH]1)c1ccc[nH]1
NSC Number:
81355
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Gold-catalyzed cyclization of alkynylaziridines as an efficient approach toward functionalized N-phth pyrroles. | The Journal of organic chemistry 20100115 |
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