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Home > Imidazoles > 923171-96-4
923171-96-4 | 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
CAS No: 923171-96-4 Catalog No: AG019KAO MDL No:MFCD08691246
Product Description
Catalog Number:
AG019KAO
Chemical Name:
2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
CAS Number:
923171-96-4
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
MDL Number:
MFCD08691246
IUPAC Name:
2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C11H10N2O4/c14-9-5-12-11(17)13(9)6-7-3-1-2-4-8(7)10(15)16/h1-4H,5-6H2,(H,12,17)(H,15,16)
InChI Key:
KYPSSWJAZFJBOT-UHFFFAOYSA-N
SMILES:
O=C1NCC(=O)N1Cc1ccccc1C(=O)O
Properties
Complexity:
355
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:
2
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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