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25163-50-2 | 4-Penten-1-ol, 4-methyl-, 1-(4-methylbenzenesulfonate)
CAS No: 25163-50-2 Catalog No: AG002QQ0 MDL No:
Product Description
Catalog Number:
AG002QQ0
Chemical Name:
4-Penten-1-ol, 4-methyl-, 1-(4-methylbenzenesulfonate)
CAS Number:
25163-50-2
IUPAC Name:
4-methylpent-4-enyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H18O3S/c1-11(2)5-4-10-16-17(14,15)13-8-6-12(3)7-9-13/h6-9H,1,4-5,10H2,2-3H3
InChI Key:
QCXQFXZJNQSTIT-UHFFFAOYSA-N
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.344g/mol
Monoisotopic Mass:
254.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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