577959-88-7
Product Name:
METHYL 3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-2-CARBOXYLATE
Formula:
C13H16O4
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 236.26 g/mol |
---|---|
XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 236.10485899 g/mol |
Monoisotopic Mass | 236.10485899 g/mol |
Topological Polar Surface Area | 56.5 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 347 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |