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88408-88-2 | 1-Butanol, 3-methyl-4-(2-naphthalenylsulfonyl)-
CAS No: 88408-88-2 Catalog No: AG004KZ3 MDL No:
Product Description
Catalog Number:
AG004KZ3
Chemical Name:
1-Butanol, 3-methyl-4-(2-naphthalenylsulfonyl)-
CAS Number:
88408-88-2
Molecular Formula:
C15H18O3S
Molecular Weight:
278.3666
IUPAC Name:
3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
InChI:
InChI=1S/C15H18O3S/c1-12(8-9-16)11-19(17,18)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16H,8-9,11H2,1H3
InChI Key:
OHMFVYAQDXCDNI-UHFFFAOYSA-N
SMILES:
OCCC(CS(=O)(=O)c1ccc2c(c1)cccc2)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.366g/mol
Monoisotopic Mass:
278.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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