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922179-85-9 | Ethenol, 2-(1H-imidazol-2-yl)-
CAS No: 922179-85-9 Catalog No: AG00620K MDL No:
Product Description
Catalog Number:
AG00620K
Chemical Name:
Ethenol, 2-(1H-imidazol-2-yl)-
CAS Number:
922179-85-9
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
IUPAC Name:
(E)-2-(1H-imidazol-2-yl)ethenol
InChI:
InChI=1S/C5H6N2O/c8-4-1-5-6-2-3-7-5/h1-4,8H,(H,6,7)/b4-1+
InChI Key:
SPMYHLYKVLMIRO-DAFODLJHSA-N
SMILES:
OC=Cc1ncc[nH]1
Properties
Complexity:
92.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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