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88576-50-5 | Naphthalene, 2-(2-butenylsulfonyl)-
CAS No: 88576-50-5 Catalog No: AG004BUU MDL No:
Product Description
Catalog Number:
AG004BUU
Chemical Name:
Naphthalene, 2-(2-butenylsulfonyl)-
CAS Number:
88576-50-5
Molecular Formula:
C14H14O2S
Molecular Weight:
246.3248
IUPAC Name:
2-but-2-enylsulfonylnaphthalene
InChI:
InChI=1S/C14H14O2S/c1-2-3-10-17(15,16)14-9-8-12-6-4-5-7-13(12)11-14/h2-9,11H,10H2,1H3
InChI Key:
UPLGVXLRGBVPFX-UHFFFAOYSA-N
SMILES:
CC=CCS(=O)(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.324g/mol
Monoisotopic Mass:
246.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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