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Home > Imidazoles > 938458-79-8
938458-79-8 | 4-(2,4-DIOXOIMIDAZOLIDIN-1-YL)BENZOIC ACID
CAS No: 938458-79-8 Catalog No: AG00GVUB MDL No:MFCD04324141
Product Description
Catalog Number:
AG00GVUB
Chemical Name:
4-(2,4-DIOXOIMIDAZOLIDIN-1-YL)BENZOIC ACID
CAS Number:
938458-79-8
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD04324141
IUPAC Name:
4-(2,4-dioxoimidazolidin-1-yl)benzoic acid
InChI:
InChI=1S/C10H8N2O4/c13-8-5-12(10(16)11-8)7-3-1-6(2-4-7)9(14)15/h1-4H,5H2,(H,14,15)(H,11,13,16)
InChI Key:
OKHQUQUPALGCKL-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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