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61857-83-8 | 2,2-Dimethyl-5-(thiophen-3-yl)-1,3-dioxane-4,6-dione
CAS No: 61857-83-8 Catalog No: AG003FBK MDL No:MFCD08458279
Product Description
Catalog Number:
AG003FBK
Chemical Name:
2,2-Dimethyl-5-(thiophen-3-yl)-1,3-dioxane-4,6-dione
CAS Number:
61857-83-8
Molecular Formula:
C10H10O4S
Molecular Weight:
226.2490
MDL Number:
MFCD08458279
IUPAC Name:
2,2-dimethyl-5-thiophen-3-yl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C10H10O4S/c1-10(2)13-8(11)7(9(12)14-10)6-3-4-15-5-6/h3-5,7H,1-2H3
InChI Key:
HAGWJJFKVFSZLP-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1c1cscc1
NSC Number:
643156
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.246g/mol
Monoisotopic Mass:
226.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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