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1443334-95-9 | Ethyl 2-(3-tert-butylphenyl)sulfanyl-2-oxo-acetate
CAS No: 1443334-95-9 Catalog No: AG01F92L MDL No:
Product Description
Catalog Number:
AG01F92L
Chemical Name:
Ethyl 2-(3-tert-butylphenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443334-95-9
Molecular Formula:
C14H18O3S
Molecular Weight:
266.3559
IUPAC Name:
ethyl 2-(3-tert-butylphenyl)sulfanyl-2-oxoacetate
InChI:
InChI=1S/C14H18O3S/c1-5-17-12(15)13(16)18-11-8-6-7-10(9-11)14(2,3)4/h6-9H,5H2,1-4H3
InChI Key:
IKUCWWXHGULCHM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1cccc(c1)C(C)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.355g/mol
Monoisotopic Mass:
266.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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