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Home > Imidazoles > 872-82-2
872-82-2 | 2-(1H-Imidazol-5-yl)ethanol
CAS No: 872-82-2 Catalog No: AG004I65 MDL No:MFCD11616736
Product Description
Catalog Number:
AG004I65
Chemical Name:
2-(1H-Imidazol-5-yl)ethanol
CAS Number:
872-82-2
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD11616736
IUPAC Name:
2-(1H-imidazol-5-yl)ethanol
InChI:
InChI=1S/C5H8N2O/c8-2-1-5-3-6-4-7-5/h3-4,8H,1-2H2,(H,6,7)
InChI Key:
HEEACTTWORLLPM-UHFFFAOYSA-N
SMILES:
OCCc1cnc[nH]1
Properties
Complexity:
67.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Histaminol: identification and HPLC analysis of a novel compound in wine. | Journal of agricultural and food chemistry 20100922 |
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