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Home > Other Heterocycles > 1778938-96-7
1778938-96-7 | 6-methoxy-3,4-dihydrospiro[1-benzopyran-2,4'-[1lambda6]thiane]-1',1',4-trione
CAS No: 1778938-96-7 Catalog No: AG01BOWC MDL No:MFCD30499657
Product Description
Catalog Number:
AG01BOWC
Chemical Name:
6-methoxy-3,4-dihydrospiro[1-benzopyran-2,4'-[1lambda6]thiane]-1',1',4-trione
CAS Number:
1778938-96-7
Molecular Formula:
C14H16O5S
Molecular Weight:
296.3388
MDL Number:
MFCD30499657
IUPAC Name:
6-methoxy-1',1'-dioxospiro[3H-chromene-2,4'-thiane]-4-one
InChI:
InChI=1S/C14H16O5S/c1-18-10-2-3-13-11(8-10)12(15)9-14(19-13)4-6-20(16,17)7-5-14/h2-3,8H,4-7,9H2,1H3
InChI Key:
BJWYBHSTTDUUJP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)CC1(O2)CCS(=O)(=O)CC1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.337g/mol
Monoisotopic Mass:
296.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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