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129083-21-2 | 1-Penten-3-ol, 4-methyl-1-(phenylsulfonyl)-, (1E)-
CAS No: 129083-21-2 Catalog No: AG000YU5 MDL No:
Product Description
Catalog Number:
AG000YU5
Chemical Name:
1-Penten-3-ol, 4-methyl-1-(phenylsulfonyl)-, (1E)-
CAS Number:
129083-21-2
Molecular Formula:
C12H16O3S
Molecular Weight:
240.3186
IUPAC Name:
1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
InChI:
InChI=1S/C12H16O3S/c1-10(2)12(13)8-9-16(14,15)11-6-4-3-5-7-11/h3-10,12-13H,1-2H3
InChI Key:
PEXSLQWTOBMNTD-UHFFFAOYSA-N
SMILES:
OC(C(C)C)/C=C/S(=O)(=O)c1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.317g/mol
Monoisotopic Mass:
240.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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