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144348-02-7 | 3,4-Hexadien-1-ol, 5-methyl-, 1-(4-methylbenzenesulfonate)
CAS No: 144348-02-7 Catalog No: AG001JDF MDL No:
Product Description
Catalog Number:
AG001JDF
Chemical Name:
3,4-Hexadien-1-ol, 5-methyl-, 1-(4-methylbenzenesulfonate)
CAS Number:
144348-02-7
Molecular Formula:
C14H20O4S
Molecular Weight:
284.3712
IUPAC Name:
4-methylbenzenesulfonic acid;5-methylhexa-3,4-dien-1-ol
InChI:
InChI=1S/C7H8O3S.C7H12O/c1-6-2-4-7(5-3-6)11(8,9)10;1-7(2)5-3-4-6-8/h2-5H,1H3,(H,8,9,10);3,8H,4,6H2,1-2H3
InChI Key:
SJUUCYQRYHKZGH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.OCCC=C=C(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.37g/mol
Monoisotopic Mass:
284.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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