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288-31-3 | 2H-Imidazole
CAS No: 288-31-3 Catalog No: AG002WKB MDL No:
Product Description
Catalog Number:
AG002WKB
Chemical Name:
2H-Imidazole
CAS Number:
288-31-3
Molecular Formula:
C3H4N2
Molecular Weight:
68.0773
InChI:
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-2H,3H2
InChI Key:
ACVSHQGHCWUJFU-UHFFFAOYSA-N
SMILES:
N1=CC=NC1
Properties
Complexity:
63
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
68.037g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
68.079g/mol
Monoisotopic Mass:
68.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Hidden histidine radical rearrangements upon electron transfer to gas-phase peptide ions. Experimental evidence and theoretical analysis. | Journal of the American Chemical Society 20081105 |
| Preparation, properties, and reduction of heteroaromatic quinoids with 1,4-diazacyclopentadien-2-ylidene terminals. | Organic letters 20050106 |
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