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68391-55-9 | 4-hydroxy-3,5-dihydro-1h-imidazo[4,5-c]pyridine-2,6-dione
CAS No: 68391-55-9 Catalog No: AG006KSI MDL No:
Product Description
Catalog Number:
AG006KSI
Chemical Name:
4-hydroxy-3,5-dihydro-1h-imidazo[4,5-c]pyridine-2,6-dione
CAS Number:
68391-55-9
Molecular Formula:
C6H5N3O3
Molecular Weight:
167.1222
IUPAC Name:
1-(6-chloro-2-methylbenzimidazol-1-yl)propan-2-ol
InChI:
InChI=1S/C11H13ClN2O/c1-7(15)6-14-8(2)13-10-4-3-9(12)5-11(10)14/h3-5,7,15H,6H2,1-2H3
InChI Key:
BRCANRFFTFNXPU-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(O)c2c(c1)[nH]c(=O)[nH]2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.688g/mol
Monoisotopic Mass:
224.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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