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88193-43-5 | 1H-Furo[3,4-d]imidazole-4-methanesulfonic acid, hexahydro-2-oxo-
CAS No: 88193-43-5 Catalog No: AG004C9N MDL No:
Product Description
Catalog Number:
AG004C9N
Chemical Name:
1H-Furo[3,4-d]imidazole-4-methanesulfonic acid, hexahydro-2-oxo-
CAS Number:
88193-43-5
Molecular Formula:
C6H10N2O5S
Molecular Weight:
222.2190
IUPAC Name:
(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)methanesulfonic acid
InChI:
InChI=1S/C6H10N2O5S/c9-6-7-3-1-13-4(5(3)8-6)2-14(10,11)12/h3-5H,1-2H2,(H2,7,8,9)(H,10,11,12)
InChI Key:
RFCDCNHTWHDXFE-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1)C(OC2)CS(=O)(=O)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.215g/mol
Monoisotopic Mass:
222.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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