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Home > Imidazoles > 88193-42-4
88193-42-4 | 1H-Furo[3,4-d]imidazole-4-octanoic acid, hexahydro-2-oxo-
CAS No: 88193-42-4 Catalog No: AG008BIT MDL No:
Product Description
Catalog Number:
AG008BIT
Chemical Name:
1H-Furo[3,4-d]imidazole-4-octanoic acid, hexahydro-2-oxo-
CAS Number:
88193-42-4
Molecular Formula:
C13H22N2O4
Molecular Weight:
270.3248
IUPAC Name:
8-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)octanoic acid
InChI:
InChI=1S/C13H22N2O4/c16-11(17)7-5-3-1-2-4-6-10-12-9(8-19-10)14-13(18)15-12/h9-10,12H,1-8H2,(H,16,17)(H2,14,15,18)
InChI Key:
NIUZMYWVXNENMD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCC1OCC2C1NC(=O)N2
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.329g/mol
Monoisotopic Mass:
270.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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