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88193-44-6 | 1H-Furo[3,4-d]imidazole-4-ethanesulfonic acid, hexahydro-2-oxo-
CAS No: 88193-44-6 Catalog No: AG004DYV MDL No:
Product Description
Catalog Number:
AG004DYV
Chemical Name:
1H-Furo[3,4-d]imidazole-4-ethanesulfonic acid, hexahydro-2-oxo-
CAS Number:
88193-44-6
Molecular Formula:
C7H12N2O5S
Molecular Weight:
236.2456
IUPAC Name:
2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)ethanesulfonic acid
InChI:
InChI=1S/C7H12N2O5S/c10-7-8-4-3-14-5(6(4)9-7)1-2-15(11,12)13/h4-6H,1-3H2,(H2,8,9,10)(H,11,12,13)
InChI Key:
ZJBHIBXFOAPGNA-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1)C(OC2)CCS(=O)(=O)O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.242g/mol
Monoisotopic Mass:
236.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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