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84183-96-0 | Ethanol, 2-[2-(2-propenyloxy)ethoxy]-, 4-methylbenzenesulfonate
CAS No: 84183-96-0 Catalog No: AG004P3Y MDL No:
Product Description
Catalog Number:
AG004P3Y
Chemical Name:
Ethanol, 2-[2-(2-propenyloxy)ethoxy]-, 4-methylbenzenesulfonate
CAS Number:
84183-96-0
Molecular Formula:
C14H22O6S
Molecular Weight:
318.3859
IUPAC Name:
4-methylbenzenesulfonic acid;2-(2-prop-2-enoxyethoxy)ethanol
InChI:
InChI=1S/C7H8O3S.C7H14O3/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-9-6-7-10-5-3-8/h2-5H,1H3,(H,8,9,10);2,8H,1,3-7H2
InChI Key:
UMFDFXHCUFMSCZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.OCCOCCOCC=C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.384g/mol
Monoisotopic Mass:
318.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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