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Home > Other Heterocycles > 1866028-28-5
1866028-28-5 | 1-oxa-6-thiaspiro[2.5]octane-2-carbonitrile
CAS No: 1866028-28-5 Catalog No: AG01C6WW MDL No:MFCD31432512
Product Description
Catalog Number:
AG01C6WW
Chemical Name:
1-oxa-6-thiaspiro[2.5]octane-2-carbonitrile
CAS Number:
1866028-28-5
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
MDL Number:
MFCD31432512
IUPAC Name:
1-oxa-6-thiaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C7H9NOS/c8-5-6-7(9-6)1-3-10-4-2-7/h6H,1-4H2
InChI Key:
KKJPHFJDYPNALP-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCSCC2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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