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Home > Other Heterocycles > 85976-51-8
85976-51-8 | 1-Thia-4-azaspiro[4.5]dec-3-en-2-one, 3-methoxy-
CAS No: 85976-51-8 Catalog No: AG004QBH MDL No:
Product Description
Catalog Number:
AG004QBH
Chemical Name:
1-Thia-4-azaspiro[4.5]dec-3-en-2-one, 3-methoxy-
CAS Number:
85976-51-8
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
IUPAC Name:
3-methoxy-1-thia-4-azaspiro[4.5]dec-3-en-2-one
InChI:
InChI=1S/C9H13NO2S/c1-12-7-8(11)13-9(10-7)5-3-2-4-6-9/h2-6H2,1H3
InChI Key:
BNCOBRJBELUDCI-UHFFFAOYSA-N
SMILES:
COC1=NC2(SC1=O)CCCCC2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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