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Home > Other Heterocycles > 1773137-82-8
1773137-82-8 | 6-methyl-3,4-dihydrospiro[1-benzopyran-2,4'-[1lambda6]thiane]-1',1',4-trione
CAS No: 1773137-82-8 Catalog No: AG01BOWL MDL No:MFCD30499664
Product Description
Catalog Number:
AG01BOWL
Chemical Name:
6-methyl-3,4-dihydrospiro[1-benzopyran-2,4'-[1lambda6]thiane]-1',1',4-trione
CAS Number:
1773137-82-8
Molecular Formula:
C14H16O4S
Molecular Weight:
280.3394
MDL Number:
MFCD30499664
IUPAC Name:
6-methyl-1',1'-dioxospiro[3H-chromene-2,4'-thiane]-4-one
InChI:
InChI=1S/C14H16O4S/c1-10-2-3-13-11(8-10)12(15)9-14(18-13)4-6-19(16,17)7-5-14/h2-3,8H,4-7,9H2,1H3
InChI Key:
GBDUAWXYOWGXBD-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)CC1(O2)CCS(=O)(=O)CC1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.338g/mol
Monoisotopic Mass:
280.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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