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88193-48-0 | 1H-Furo[3,4-d]imidazole-4-heptanesulfonic acid, hexahydro-2-oxo-
CAS No: 88193-48-0 Catalog No: AG004C9J MDL No:
Product Description
Catalog Number:
AG004C9J
Chemical Name:
1H-Furo[3,4-d]imidazole-4-heptanesulfonic acid, hexahydro-2-oxo-
CAS Number:
88193-48-0
Molecular Formula:
C12H22N2O5S
Molecular Weight:
306.3785
IUPAC Name:
7-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)heptane-1-sulfonic acid
InChI:
InChI=1S/C12H22N2O5S/c15-12-13-9-8-19-10(11(9)14-12)6-4-2-1-3-5-7-20(16,17)18/h9-11H,1-8H2,(H2,13,14,15)(H,16,17,18)
InChI Key:
FPVGFDLDCGXYII-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1)COC2CCCCCCCS(=O)(=O)O
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.377g/mol
Monoisotopic Mass:
306.125g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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