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116525-27-0 | Naphthalene, 1-[(2-methyl-2-propen-1-yl)sulfinyl]-
CAS No: 116525-27-0 Catalog No: AG000COS MDL No:
Product Description
Catalog Number:
AG000COS
Chemical Name:
Naphthalene, 1-[(2-methyl-2-propen-1-yl)sulfinyl]-
CAS Number:
116525-27-0
Molecular Formula:
C14H14OS
Molecular Weight:
230.3254
IUPAC Name:
1-(2-methylprop-2-enylsulfinyl)naphthalene
InChI:
InChI=1S/C14H14OS/c1-11(2)10-16(15)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,1,10H2,2H3
InChI Key:
IXYRTZGHERUCAR-UHFFFAOYSA-N
SMILES:
CC(=C)CS(=O)c1cccc2c1cccc2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.325g/mol
Monoisotopic Mass:
230.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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