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137309-88-7 | Ethanol, 2-(2-methoxyphenoxy)-, 1-(4-methylbenzenesulfonate)
CAS No: 137309-88-7 Catalog No: AG00133B MDL No:MFCD09832880
Product Description
Catalog Number:
AG00133B
Chemical Name:
Ethanol, 2-(2-methoxyphenoxy)-, 1-(4-methylbenzenesulfonate)
CAS Number:
137309-88-7
Molecular Formula:
C16H18O5S
Molecular Weight:
322.3761
MDL Number:
MFCD09832880
IUPAC Name:
2-(2-methoxyphenoxy)ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H18O5S/c1-13-7-9-14(10-8-13)22(17,18)21-12-11-20-16-6-4-3-5-15(16)19-2/h3-10H,11-12H2,1-2H3
InChI Key:
JJYACKVCWURYDT-UHFFFAOYSA-N
SMILES:
COc1ccccc1OCCOS(=O)(=O)c1ccc(cc1)C
EC Number:
403-930-9
UNII:
1631416B52
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.375g/mol
Monoisotopic Mass:
322.087g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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