Home Sulfos Sodium 2-methoxy-5-[3-oxo-3-phenylprop-1-en-1-yl]benzene-1-sulfonate

Sodium 2-methoxy-5-[3-oxo-3-phenylprop-1-en-1-yl]benzene-1-sulfonate

CAS No.:
97326-77-7
Catalog Number:
AG01F5AW
Molecular Formula:
C16H13NaO5S
Molecular Weight:
340.3262
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
90%
1 week
United States
$212
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Product Description
Catalog Number:
AG01F5AW
Chemical Name:
Sodium 2-methoxy-5-[3-oxo-3-phenylprop-1-en-1-yl]benzene-1-sulfonate
CAS Number:
97326-77-7
Molecular Formula:
C16H13NaO5S
Molecular Weight:
340.3262
MDL Number:
MFCD08065568
IUPAC Name:
sodium;2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonate
InChI:
InChI=1S/C16H14O5S.Na/c1-21-15-10-8-12(11-16(15)22(18,19)20)7-9-14(17)13-5-3-2-4-6-13;/h2-11H,1H3,(H,18,19,20);/q;+1/p-1/b9-7+;
InChI Key:
DGCYQIZRMJONOX-BXTVWIJMSA-M
SMILES:
COc1ccc(cc1S(=O)(=O)[O-])/C=C/C(=O)c1ccccc1.[Na+]
Properties
Complexity:
505  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
340.038g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.325g/mol
Monoisotopic Mass:
340.038g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties