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88193-45-7 | 1H-Furo[3,4-d]imidazole-4-propanesulfonic acid, hexahydro-2-oxo-
CAS No: 88193-45-7 Catalog No: AG004C9M MDL No:
Product Description
Catalog Number:
AG004C9M
Chemical Name:
1H-Furo[3,4-d]imidazole-4-propanesulfonic acid, hexahydro-2-oxo-
CAS Number:
88193-45-7
Molecular Formula:
C8H14N2O5S
Molecular Weight:
250.2722
IUPAC Name:
3-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)propane-1-sulfonic acid
InChI:
InChI=1S/C8H14N2O5S/c11-8-9-5-4-15-6(7(5)10-8)2-1-3-16(12,13)14/h5-7H,1-4H2,(H2,9,10,11)(H,12,13,14)
InChI Key:
DFSJKIXGABWVSX-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1)C(OC2)CCCS(=O)(=O)O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.269g/mol
Monoisotopic Mass:
250.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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