200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 113385-77-6
113385-77-6 | 1H-Imidazole-4,5-dione, 1-(2-hydroxyethyl)-2-methyl-, 4-oxime
CAS No: 113385-77-6 Catalog No: AG0008CU MDL No:
Product Description
Catalog Number:
AG0008CU
Chemical Name:
1H-Imidazole-4,5-dione, 1-(2-hydroxyethyl)-2-methyl-, 4-oxime
CAS Number:
113385-77-6
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
IUPAC Name:
3-(2-hydroxyethyl)-2-methyl-5-nitrosoimidazol-4-ol
InChI:
InChI=1S/C6H9N3O3/c1-4-7-5(8-12)6(11)9(4)2-3-10/h10-11H,2-3H2,1H3
InChI Key:
MIMCHLYAZAFBNX-UHFFFAOYSA-N
SMILES:
OCCN1C(=NC(=NO)C1=O)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.