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138332-13-5 | 3-Butene-1,2-diol, 1-(4-methylbenzenesulfonate)
CAS No: 138332-13-5 Catalog No: AG0018KC MDL No:
Product Description
Catalog Number:
AG0018KC
Chemical Name:
3-Butene-1,2-diol, 1-(4-methylbenzenesulfonate)
CAS Number:
138332-13-5
IUPAC Name:
2-hydroxybut-3-enyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C11H14O4S/c1-3-10(12)8-15-16(13,14)11-6-4-9(2)5-7-11/h3-7,10,12H,1,8H2,2H3
InChI Key:
YQSCDBZHHLIPOI-UHFFFAOYSA-N
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.289g/mol
Monoisotopic Mass:
242.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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