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88193-47-9 | 1H-Furo[3,4-d]imidazole-4-hexanesulfonic acid, hexahydro-2-oxo-
CAS No: 88193-47-9 Catalog No: AG004C9K MDL No:
Product Description
Catalog Number:
AG004C9K
Chemical Name:
1H-Furo[3,4-d]imidazole-4-hexanesulfonic acid, hexahydro-2-oxo-
CAS Number:
88193-47-9
Molecular Formula:
C11H20N2O5S
Molecular Weight:
292.3519
IUPAC Name:
6-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)hexane-1-sulfonic acid
InChI:
InChI=1S/C11H20N2O5S/c14-11-12-8-7-18-9(10(8)13-11)5-3-1-2-4-6-19(15,16)17/h8-10H,1-7H2,(H2,12,13,14)(H,15,16,17)
InChI Key:
LSTCPMKVLPRUKZ-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1)C(OC2)CCCCCCS(=O)(=O)O
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.35g/mol
Monoisotopic Mass:
292.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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