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Home > Imidazoles > 67989-98-4
67989-98-4 | 1-ethoxy-3-(2-nitro-1h-imidazol-1-yl)propan-2-ol
CAS No: 67989-98-4 Catalog No: AG0061A7 MDL No:
Product Description
Catalog Number:
AG0061A7
Chemical Name:
1-ethoxy-3-(2-nitro-1h-imidazol-1-yl)propan-2-ol
CAS Number:
67989-98-4
Molecular Formula:
C8H13N3O4
Molecular Weight:
215.2065
IUPAC Name:
1-(2,2,8-trimethyl-5-tricyclo[6.2.2.01,6]dodecanyl)ethanone
InChI:
InChI=1S/C17H28O/c1-12(18)13-5-6-15(2,3)17-9-7-16(4,8-10-17)11-14(13)17/h13-14H,5-11H2,1-4H3
InChI Key:
RVDZMZCRDXUENU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nccn1CC(COCC)O
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.214g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.41g/mol
Monoisotopic Mass:
248.214g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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