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113659-84-0 | 2-Propenamide, 3-(2-naphthalenylsulfonyl)-
CAS No: 113659-84-0 Catalog No: AG000992 MDL No:
Product Description
Catalog Number:
AG000992
Chemical Name:
2-Propenamide, 3-(2-naphthalenylsulfonyl)-
CAS Number:
113659-84-0
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
IUPAC Name:
3-naphthalen-2-ylsulfonylprop-2-enamide
InChI:
InChI=1S/C13H11NO3S/c14-13(15)7-8-18(16,17)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,14,15)
InChI Key:
OYMPFLLWJVZZKI-UHFFFAOYSA-N
SMILES:
NC(=O)C=CS(=O)(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.295g/mol
Monoisotopic Mass:
261.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
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