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85890-71-7 | 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-thiomorpholinyl)-
CAS No: 85890-71-7 Catalog No: AG004WVA MDL No:
Product Description
Catalog Number:
AG004WVA
Chemical Name:
2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-thiomorpholinyl)-
CAS Number:
85890-71-7
Molecular Formula:
C12H19NOS
Molecular Weight:
225.3504
IUPAC Name:
5,5-dimethyl-3-thiomorpholin-4-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C12H19NOS/c1-12(2)8-10(7-11(14)9-12)13-3-5-15-6-4-13/h7H,3-6,8-9H2,1-2H3
InChI Key:
SCRFVCGNDLJBPU-UHFFFAOYSA-N
SMILES:
O=C1C=C(CC(C1)(C)C)N1CCSCC1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.119g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.35g/mol
Monoisotopic Mass:
225.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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