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1696912-87-4 | 5-{[1-(2-hydroxyethyl)-1H-1,2,3-triazol-4-yl]methyl}imidazolidine-2,4-dione
CAS No: 1696912-87-4 Catalog No: AG01AGB5 MDL No:MFCD28118202
Product Description
Catalog Number:
AG01AGB5
Chemical Name:
5-{[1-(2-hydroxyethyl)-1H-1,2,3-triazol-4-yl]methyl}imidazolidine-2,4-dione
CAS Number:
1696912-87-4
Molecular Formula:
C8H11N5O3
Molecular Weight:
225.2046
MDL Number:
MFCD28118202
IUPAC Name:
5-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C8H11N5O3/c14-2-1-13-4-5(11-12-13)3-6-7(15)10-8(16)9-6/h4,6,14H,1-3H2,(H2,9,10,15,16)
InChI Key:
YCHPGJNMUWAFLC-UHFFFAOYSA-N
SMILES:
OCCn1cc(nn1)CC1NC(=O)NC1=O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.208g/mol
Monoisotopic Mass:
225.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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