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Home > Imidazoles > 929972-94-1
929972-94-1 | 4-[(3-methyl-2,4,5-trioxoimidazolidin-1-yl)methyl]benzoic acid
CAS No: 929972-94-1 Catalog No: AG019OYL MDL No:MFCD09040337
Product Description
Catalog Number:
AG019OYL
Chemical Name:
4-[(3-methyl-2,4,5-trioxoimidazolidin-1-yl)methyl]benzoic acid
CAS Number:
929972-94-1
Molecular Formula:
C12H10N2O5
Molecular Weight:
262.2182
MDL Number:
MFCD09040337
IUPAC Name:
4-[(3-methyl-2,4,5-trioxoimidazolidin-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C12H10N2O5/c1-13-9(15)10(16)14(12(13)19)6-7-2-4-8(5-3-7)11(17)18/h2-5H,6H2,1H3,(H,17,18)
InChI Key:
YBKZSQXAULGMMM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CN1C(=O)N(C(=O)C1=O)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.221g/mol
Monoisotopic Mass:
262.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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