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800406-06-8 | Benzenesulfonic acid, 4-ethenyl-, 3-cyclohexen-1-ylmethyl ester
CAS No: 800406-06-8 Catalog No: AG0055AM MDL No:
Product Description
Catalog Number:
AG0055AM
Chemical Name:
Benzenesulfonic acid, 4-ethenyl-, 3-cyclohexen-1-ylmethyl ester
CAS Number:
800406-06-8
Molecular Formula:
C15H18O3S
Molecular Weight:
278.3666
IUPAC Name:
cyclohex-3-en-1-ylmethyl 4-ethenylbenzenesulfonate
InChI:
InChI=1S/C15H18O3S/c1-2-13-8-10-15(11-9-13)19(16,17)18-12-14-6-4-3-5-7-14/h2-4,8-11,14H,1,5-7,12H2
InChI Key:
QAKFCTYNSIHOPQ-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)S(=O)(=O)OCC1CCC=CC1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.366g/mol
Monoisotopic Mass:
278.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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