78181-03-0
Product Name:
2-(2-CHLORO-BENZOYL)-3-OXO-BUTYRIC ACID METHYL ESTER
Formula:
C12H11ClO4
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COMPUTED DESCRIPTORS
Molecular Weight | 254.66 g/mol |
---|---|
XLogP3 | 2.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Exact Mass | 254.0345865 g/mol |
Monoisotopic Mass | 254.0345865 g/mol |
Topological Polar Surface Area | 60.4 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 327 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |