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Home > Other Heterocycles > 88051-56-3
88051-56-3 | 1,3-Dioxa-4-azaspiro[5.5]undecan-5-one, 4-methyl-2-thioxo-
CAS No: 88051-56-3 Catalog No: AG004IIB MDL No:
Product Description
Catalog Number:
AG004IIB
Chemical Name:
1,3-Dioxa-4-azaspiro[5.5]undecan-5-one, 4-methyl-2-thioxo-
CAS Number:
88051-56-3
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
IUPAC Name:
4-methyl-2-sulfanylidene-1,3-dioxa-4-azaspiro[5.5]undecan-5-one
InChI:
InChI=1S/C9H13NO3S/c1-10-7(11)9(12-8(14)13-10)5-3-2-4-6-9/h2-6H2,1H3
InChI Key:
SZBRTLUPEDILCZ-UHFFFAOYSA-N
SMILES:
CN1OC(=S)OC2(C1=O)CCCCC2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.267g/mol
Monoisotopic Mass:
215.062g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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