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Home > Imidazoles > 88193-46-8
88193-46-8 | 1H-Furo[3,4-d]imidazole-4-pentanesulfonic acid, hexahydro-2-oxo-
CAS No: 88193-46-8 Catalog No: AG004C9L MDL No:
Product Description
Catalog Number:
AG004C9L
Chemical Name:
1H-Furo[3,4-d]imidazole-4-pentanesulfonic acid, hexahydro-2-oxo-
CAS Number:
88193-46-8
Molecular Formula:
C10H18N2O5S
Molecular Weight:
278.3253
IUPAC Name:
5-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)pentane-1-sulfonic acid
InChI:
InChI=1S/C10H18N2O5S/c13-10-11-7-6-17-8(9(7)12-10)4-2-1-3-5-18(14,15)16/h7-9H,1-6H2,(H2,11,12,13)(H,14,15,16)
InChI Key:
JXIVENJBQLZWOU-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1)C(OC2)CCCCCS(=O)(=O)O
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.323g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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