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31059-08-2 | Ethanone, 1-(1H-imidazol-1-yl)-2-methoxy-
CAS No: 31059-08-2 Catalog No: AG00321J MDL No:
Product Description
Catalog Number:
AG00321J
Chemical Name:
Ethanone, 1-(1H-imidazol-1-yl)-2-methoxy-
CAS Number:
31059-08-2
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
1-imidazol-1-yl-2-methoxyethanone
InChI:
InChI=1S/C6H8N2O2/c1-10-4-6(9)8-3-2-7-5-8/h2-3,5H,4H2,1H3
InChI Key:
FGZHEMUBCFDEDD-UHFFFAOYSA-N
SMILES:
COCC(=O)n1cncc1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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