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6959-91-7 | Methanesulfonamide,N-(3,4-dihydro-4-oxo-2-phenyl-2H-1-benzopyran-3-yl)-
CAS No: 6959-91-7 Catalog No: AG005WB9 MDL No:
Product Description
Catalog Number:
AG005WB9
Chemical Name:
Methanesulfonamide,N-(3,4-dihydro-4-oxo-2-phenyl-2H-1-benzopyran-3-yl)-
CAS Number:
6959-91-7
Molecular Formula:
C16H15NO4S
Molecular Weight:
317.3596
IUPAC Name:
N-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)methanesulfonamide
InChI:
InChI=1S/C16H15NO4S/c1-22(19,20)17-14-15(18)12-9-5-6-10-13(12)21-16(14)11-7-3-2-4-8-11/h2-10,14,16-17H,1H3
InChI Key:
QZNMKLUUSKXLDR-UHFFFAOYSA-N
SMILES:
O=C1C(NS(=O)(=O)C)C(Oc2c1cccc2)c1ccccc1
NSC Number:
69568
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.359g/mol
Monoisotopic Mass:
317.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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