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205882-94-6 | 2-Hexen-1-ol, 1-(4-methylbenzenesulfonate), (2E)-
CAS No: 205882-94-6 Catalog No: AG002AEO MDL No:
Product Description
Catalog Number:
AG002AEO
Chemical Name:
2-Hexen-1-ol, 1-(4-methylbenzenesulfonate), (2E)-
CAS Number:
205882-94-6
IUPAC Name:
hex-2-en-1-ol;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H8O3S.C6H12O/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3-4-5-6-7/h2-5H,1H3,(H,8,9,10);4-5,7H,2-3,6H2,1H3
InChI Key:
PPZADGIGFSBYBP-UHFFFAOYSA-N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.359g/mol
Monoisotopic Mass:
272.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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