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Home > Imidazoles > 652992-47-7
652992-47-7 | Benzoic acid, 3-(4-methyl-2,5-dioxo-4-imidazolidinyl)-
CAS No: 652992-47-7 Catalog No: AG006TLP MDL No:MFCD22392274
Product Description
Catalog Number:
AG006TLP
Chemical Name:
Benzoic acid, 3-(4-methyl-2,5-dioxo-4-imidazolidinyl)-
CAS Number:
652992-47-7
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
MDL Number:
MFCD22392274
IUPAC Name:
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O4/c1-11(9(16)12-10(17)13-11)7-4-2-3-6(5-7)8(14)15/h2-5H,1H3,(H,14,15)(H2,12,13,16,17)
InChI Key:
JGUDKWCSKIHORD-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(N1)(C)c1cccc(c1)C(=O)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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