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Home > Aldehydes > 289473-08-1
289473-08-1 | 2-Naphthalenecarboxaldehyde, 1-[(1,1-dimethylethyl)sulfinyl]-
CAS No: 289473-08-1 Catalog No: AG002X5P MDL No:
Product Description
Catalog Number:
AG002X5P
Chemical Name:
2-Naphthalenecarboxaldehyde, 1-[(1,1-dimethylethyl)sulfinyl]-
CAS Number:
289473-08-1
Molecular Formula:
C15H16O2S
Molecular Weight:
260.3513
IUPAC Name:
1-tert-butylsulfinylnaphthalene-2-carbaldehyde
InChI:
InChI=1S/C15H16O2S/c1-15(2,3)18(17)14-12(10-16)9-8-11-6-4-5-7-13(11)14/h4-10H,1-3H3
InChI Key:
WBKSTDQZPNZLKK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1S(=O)C(C)(C)C)cccc2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.351g/mol
Monoisotopic Mass:
260.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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