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Home > Other Heterocycles > 1777875-87-2
1777875-87-2 | 3,4-dihydrospiro[1-benzopyran-2,4'-[1lambda6]thiane]-1',1',4-trione
CAS No: 1777875-87-2 Catalog No: AG01BOVQ MDL No:MFCD30499636
Product Description
Catalog Number:
AG01BOVQ
Chemical Name:
3,4-dihydrospiro[1-benzopyran-2,4'-[1lambda6]thiane]-1',1',4-trione
CAS Number:
1777875-87-2
Molecular Formula:
C13H14O4S
Molecular Weight:
266.3129
MDL Number:
MFCD30499636
IUPAC Name:
1',1'-dioxospiro[3H-chromene-2,4'-thiane]-4-one
InChI:
InChI=1S/C13H14O4S/c14-11-9-13(5-7-18(15,16)8-6-13)17-12-4-2-1-3-10(11)12/h1-4H,5-9H2
InChI Key:
GGCJKMVUEKBBGI-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCS(=O)(=O)CC2)Oc2c1cccc2
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.311g/mol
Monoisotopic Mass:
266.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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