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1443313-68-5 | O2-Ethyl O1-[2-(4-methylthiophenyl)ethyl] oxalate
CAS No: 1443313-68-5 Catalog No: AG01F9BA MDL No:
Product Description
Catalog Number:
AG01F9BA
Chemical Name:
O2-Ethyl O1-[2-(4-methylthiophenyl)ethyl] oxalate
CAS Number:
1443313-68-5
Molecular Formula:
C13H16O4S
Molecular Weight:
268.3287
IUPAC Name:
1-O-ethyl 2-O-[2-(4-methylsulfanylphenyl)ethyl] oxalate
InChI:
InChI=1S/C13H16O4S/c1-3-16-12(14)13(15)17-9-8-10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChI Key:
SFGCDARVFPAJML-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)OCCc1ccc(cc1)SC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.327g/mol
Monoisotopic Mass:
268.077g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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