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Home > Other Heterocycles > 2060036-67-9
2060036-67-9 | tert-butyl N-{8,8-dioxo-1-oxa-8lambda6-thiaspiro[4.5]decan-3-yl}-N-methylcarbamate
CAS No: 2060036-67-9 Catalog No: AG01BZR2 MDL No:MFCD30488872
Product Description
Catalog Number:
AG01BZR2
Chemical Name:
tert-butyl N-{8,8-dioxo-1-oxa-8lambda6-thiaspiro[4.5]decan-3-yl}-N-methylcarbamate
CAS Number:
2060036-67-9
Molecular Formula:
C14H25NO5S
Molecular Weight:
319.4170
MDL Number:
MFCD30488872
IUPAC Name:
tert-butyl N-(8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-3-yl)-N-methylcarbamate
InChI:
InChI=1S/C14H25NO5S/c1-13(2,3)20-12(16)15(4)11-9-14(19-10-11)5-7-21(17,18)8-6-14/h11H,5-10H2,1-4H3
InChI Key:
KAUYPYZGPXZYMC-UHFFFAOYSA-N
SMILES:
O=C(N(C1COC2(C1)CCS(=O)(=O)CC2)C)OC(C)(C)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.145g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.416g/mol
Monoisotopic Mass:
319.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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