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Home > Imidazoles > 25808-65-5
25808-65-5 | 2,4,7-BENZO[D]IMIDAZOLINETRIONE
CAS No: 25808-65-5 Catalog No: AG007NLR MDL No:
Product Description
Catalog Number:
AG007NLR
Chemical Name:
2,4,7-BENZO[D]IMIDAZOLINETRIONE
CAS Number:
25808-65-5
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
IUPAC Name:
4,7-dihydroxybenzimidazol-2-one
InChI:
InChI=1S/C7H4N2O3/c10-3-1-2-4(11)6-5(3)8-7(12)9-6/h1-2,10-11H
InChI Key:
XMLPBYZOXVLMAB-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)c(=O)ccc2=O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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