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914349-68-1 | Ethyl 4-(1,3-benzoxazol-2-ylthio)-3-oxobutanoate
CAS No: 914349-68-1 Catalog No: AG01EEO0 MDL No:
Product Description
Catalog Number:
AG01EEO0
Chemical Name:
Ethyl 4-(1,3-benzoxazol-2-ylthio)-3-oxobutanoate
CAS Number:
914349-68-1
IUPAC Name:
ethyl 4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxobutanoate
InChI:
InChI=1S/C13H13NO4S/c1-2-17-12(16)7-9(15)8-19-13-14-10-5-3-4-6-11(10)18-13/h3-6H,2,7-8H2,1H3
InChI Key:
GONAOEMAHHPBCX-UHFFFAOYSA-N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.31g/mol
Monoisotopic Mass:
279.057g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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