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139951-14-7 | 1-Penten-3-ol, 1-[(4-methylphenyl)sulfonyl]-, (E)- (9CI)
CAS No: 139951-14-7 Catalog No: AG001BV0 MDL No:
Product Description
Catalog Number:
AG001BV0
Chemical Name:
1-Penten-3-ol, 1-[(4-methylphenyl)sulfonyl]-, (E)- (9CI)
CAS Number:
139951-14-7
Molecular Formula:
C12H16O3S
Molecular Weight:
240.3186
IUPAC Name:
1-(4-methylphenyl)sulfonylpent-1-en-3-ol
InChI:
InChI=1S/C12H16O3S/c1-3-11(13)8-9-16(14,15)12-6-4-10(2)5-7-12/h4-9,11,13H,3H2,1-2H3
InChI Key:
SZHXCVHUTRXNCX-UHFFFAOYSA-N
SMILES:
CCC(/C=C/S(=O)(=O)c1ccc(cc1)C)O
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:
1.9
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