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Home > Other Heterocycles > 2060046-80-0
2060046-80-0 | 7-methyl-3,4-dihydrospiro[1-benzopyran-2,4'-[1lambda6]thiane]-1',1',4-trione
CAS No: 2060046-80-0 Catalog No: AG01BOWU MDL No:MFCD30499672
Product Description
Catalog Number:
AG01BOWU
Chemical Name:
7-methyl-3,4-dihydrospiro[1-benzopyran-2,4'-[1lambda6]thiane]-1',1',4-trione
CAS Number:
2060046-80-0
Molecular Formula:
C14H16O4S
Molecular Weight:
280.3394
MDL Number:
MFCD30499672
IUPAC Name:
7-methyl-1',1'-dioxospiro[3H-chromene-2,4'-thiane]-4-one
InChI:
InChI=1S/C14H16O4S/c1-10-2-3-11-12(15)9-14(18-13(11)8-10)4-6-19(16,17)7-5-14/h2-3,8H,4-7,9H2,1H3
InChI Key:
MUOYCRJDQLWICK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)OC1(CC2=O)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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