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Home > Other Heterocycles > 1852201-21-8
1852201-21-8 | 4-methanesulfonyl-1-oxaspiro[2.4]heptane-2-carbonitrile
CAS No: 1852201-21-8 Catalog No: AG01C6O7 MDL No:
Product Description
Catalog Number:
AG01C6O7
Chemical Name:
4-methanesulfonyl-1-oxaspiro[2.4]heptane-2-carbonitrile
CAS Number:
1852201-21-8
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
IUPAC Name:
4-methylsulfonyl-1-oxaspiro[2.4]heptane-2-carbonitrile
InChI:
InChI=1S/C8H11NO3S/c1-13(10,11)7-3-2-4-8(7)6(5-9)12-8/h6-7H,2-4H2,1H3
InChI Key:
TZRGLIQKOQUREE-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCCC2S(=O)(=O)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.24g/mol
Monoisotopic Mass:
201.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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