96914-67-9
Product Name:
(E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER
Formula:
C9H13NO2
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 167.20 g/mol |
---|---|
XLogP3 | 2.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 4 |
Exact Mass | 167.094628657 g/mol |
Monoisotopic Mass | 167.094628657 g/mol |
Topological Polar Surface Area | 50.1 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 232 |
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 |