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139449-22-2 | 4H-1-Benzopyran-4-one, 2,3-dihydro-6-methyl-3-(phenylsulfonyl)-
CAS No: 139449-22-2 Catalog No: AG001B1Y MDL No:
Product Description
Catalog Number:
AG001B1Y
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-6-methyl-3-(phenylsulfonyl)-
CAS Number:
139449-22-2
Molecular Formula:
C16H14O4S
Molecular Weight:
302.3450
IUPAC Name:
3-(benzenesulfonyl)-6-methyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C16H14O4S/c1-11-7-8-14-13(9-11)16(17)15(10-20-14)21(18,19)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3
InChI Key:
LRYPUAGUADDPAC-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)C(CO2)S(=O)(=O)c1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.061g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.344g/mol
Monoisotopic Mass:
302.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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