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208446-31-5 | 4H-1-Benzopyran-4-one, 3-(2-methoxyphenyl)-7-[(methylsulfonyl)oxy]-
CAS No: 208446-31-5 Catalog No: AG002JOX MDL No:MFCD01935360
Product Description
Catalog Number:
AG002JOX
Chemical Name:
4H-1-Benzopyran-4-one, 3-(2-methoxyphenyl)-7-[(methylsulfonyl)oxy]-
CAS Number:
208446-31-5
Molecular Formula:
C17H14O6S
Molecular Weight:
346.3545
MDL Number:
MFCD01935360
IUPAC Name:
[3-(2-methoxyphenyl)-4-oxochromen-7-yl] methanesulfonate
InChI:
InChI=1S/C17H14O6S/c1-21-15-6-4-3-5-12(15)14-10-22-16-9-11(23-24(2,19)20)7-8-13(16)17(14)18/h3-10H,1-2H3
InChI Key:
JDTDPCSGZOVMMK-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1coc2c(c1=O)ccc(c2)OS(=O)(=O)C
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.051g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.353g/mol
Monoisotopic Mass:
346.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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