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79679-49-5 | 2-(2,3-Dihydrobenzofuran-5-yl)ethyl 4-methylbenzenesulfonate
CAS No: 79679-49-5 Catalog No: AG0050XD MDL No:MFCD09955069
Product Description
Catalog Number:
AG0050XD
Chemical Name:
2-(2,3-Dihydrobenzofuran-5-yl)ethyl 4-methylbenzenesulfonate
CAS Number:
79679-49-5
Molecular Formula:
C17H18O4S
Molecular Weight:
318.3874
MDL Number:
MFCD09955069
IUPAC Name:
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H18O4S/c1-13-2-5-16(6-3-13)22(18,19)21-11-8-14-4-7-17-15(12-14)9-10-20-17/h2-7,12H,8-11H2,1H3
InChI Key:
DKYSYGFCWXQFGH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCCc1ccc2c(c1)CCO2
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.387g/mol
Monoisotopic Mass:
318.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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