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1419101-16-8 | 2H-Thiopyran-4-acetic acid, tetrahydro-, methyl ester, 1,1-dioxide
CAS No: 1419101-16-8 Catalog No: AG001HCY MDL No:MFCD23106384
Product Description
Catalog Number:
AG001HCY
Chemical Name:
2H-Thiopyran-4-acetic acid, tetrahydro-, methyl ester, 1,1-dioxide
CAS Number:
1419101-16-8
Molecular Formula:
C8H14O4S
Molecular Weight:
206.2594
MDL Number:
MFCD23106384
IUPAC Name:
methyl 2-(1,1-dioxothian-4-yl)acetate
InChI:
InChI=1S/C8H14O4S/c1-12-8(9)6-7-2-4-13(10,11)5-3-7/h7H,2-6H2,1H3
InChI Key:
TYCVZSZJXWXEFW-UHFFFAOYSA-N
SMILES:
COC(=O)CC1CCS(=O)(=O)CC1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.256g/mol
Monoisotopic Mass:
206.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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