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58963-72-7

58963-72-7 structural image
Product Name: 2-PROPENOIC ACID, 3-(5-BROMO-3-THIENYL)-, ETHYL ESTER
Formula: C9H9BrO2S
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COMPUTED DESCRIPTORS

Molecular Weight 261.14 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 259.95066 g/mol
Monoisotopic Mass 259.95066 g/mol
Topological Polar Surface Area 54.5 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 206
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes