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Home > Other Heterocycles > 138352-21-3
138352-21-3 | Acetonitrile, 2-(2-oxo-1-oxa-3-thiaspiro[4.5]dec-4-ylidene)-
CAS No: 138352-21-3 Catalog No: AG0018LN MDL No:
Product Description
Catalog Number:
AG0018LN
Chemical Name:
Acetonitrile, 2-(2-oxo-1-oxa-3-thiaspiro[4.5]dec-4-ylidene)-
CAS Number:
138352-21-3
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
IUPAC Name:
2-(2-oxo-1-oxa-3-thiaspiro[4.5]decan-4-ylidene)acetonitrile
InChI:
InChI=1S/C10H11NO2S/c11-7-4-8-10(13-9(12)14-8)5-2-1-3-6-10/h4H,1-3,5-6H2
InChI Key:
PHKNCOGQLPENIA-UHFFFAOYSA-N
SMILES:
N#CC=C1SC(=O)OC21CCCCC2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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