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Home > Imidazoles > 939999-26-5
939999-26-5 | 3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzoic acid
CAS No: 939999-26-5 Catalog No: AG01C534 MDL No:MFCD24498197
Product Description
Catalog Number:
AG01C534
Chemical Name:
3-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzoic acid
CAS Number:
939999-26-5
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD24498197
IUPAC Name:
3-(2-oxo-1H-imidazol-3-yl)benzoic acid
InChI:
InChI=1S/C10H8N2O3/c13-9(14)7-2-1-3-8(6-7)12-5-4-11-10(12)15/h1-6H,(H,11,15)(H,13,14)
InChI Key:
PXDLZVLUNNAWAJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)n1cc[nH]c1=O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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