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68882-89-3 | ETHYL 4-(DIACETYLAMINO)-3-(METHYLSULFANYLMETHYL)BENZOATE
CAS No: 68882-89-3 Catalog No: AG006FYW MDL No:
Product Description
Catalog Number:
AG006FYW
Chemical Name:
ETHYL 4-(DIACETYLAMINO)-3-(METHYLSULFANYLMETHYL)BENZOATE
CAS Number:
68882-89-3
Molecular Formula:
C15H19NO4S
Molecular Weight:
309.3807
IUPAC Name:
ethyl 4-(diacetylamino)-3-(methylsulfanylmethyl)benzoate
InChI:
InChI=1S/C15H19NO4S/c1-5-20-15(19)12-6-7-14(13(8-12)9-21-4)16(10(2)17)11(3)18/h6-8H,5,9H2,1-4H3
InChI Key:
XCKYLPJGBNDKMQ-UHFFFAOYSA-N
SMILES:
CSCc1cc(ccc1N(C(=O)C)C(=O)C)C(=O)OCC
NSC Number:
298306
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.38g/mol
Monoisotopic Mass:
309.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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