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Home > Other Heterocycles > 1958100-97-4
1958100-97-4 | 2,6-Diaza-spiro[3.4]octan-7-one toluene-4-sulfonic acid salt
CAS No: 1958100-97-4 Catalog No: AG01EISX MDL No:MFCD29042820
Product Description
Catalog Number:
AG01EISX
Chemical Name:
2,6-Diaza-spiro[3.4]octan-7-one toluene-4-sulfonic acid salt
CAS Number:
1958100-97-4
MDL Number:
MFCD29042820
IUPAC Name:
2,6-diazaspiro[3.4]octan-7-one;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H8O3S.C6H10N2O/c1-6-2-4-7(5-3-6)11(8,9)10;9-5-1-6(4-8-5)2-7-3-6/h2-5H,1H3,(H,8,9,10);7H,1-4H2,(H,8,9)
InChI Key:
UPALRTYMDUQVSC-UHFFFAOYSA-N
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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