179327-31-2
Product Name:
BENZENEPROPANENITRILE, 4-METHOXY-3-(1-METHYLETHOXY)-B-OXO-
Formula:
C13H15NO3
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COMPUTED DESCRIPTORS
Molecular Weight | 233.26 g/mol |
---|---|
XLogP3 | 2.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Exact Mass | 233.10519334 g/mol |
Monoisotopic Mass | 233.10519334 g/mol |
Topological Polar Surface Area | 59.3 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 305 |
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 |