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23640-03-1 | 2,5-Oxazolidinedione, 4-(1H-imidazol-5-ylmethyl)-
CAS No: 23640-03-1 Catalog No: AG002NZS MDL No:
Product Description
Catalog Number:
AG002NZS
Chemical Name:
2,5-Oxazolidinedione, 4-(1H-imidazol-5-ylmethyl)-
CAS Number:
23640-03-1
Molecular Formula:
C7H7N3O3
Molecular Weight:
181.1488
IUPAC Name:
4-(1H-imidazol-5-ylmethyl)-1,3-oxazolidine-2,5-dione
InChI:
InChI=1S/C7H7N3O3/c11-6-5(10-7(12)13-6)1-4-2-8-3-9-4/h2-3,5H,1H2,(H,8,9)(H,10,12)
InChI Key:
RSKUUOKOVOJYNG-UHFFFAOYSA-N
SMILES:
C(c1cnc[nH]1)C1NC(=O)OC1=O
EC Number:
245-797-8
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.151g/mol
Monoisotopic Mass:
181.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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