81944-08-3
Product Name:
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3E)-
Formula:
C12H14O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1809.5 1797 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 190.24 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 190.099379685 g/mol |
| Monoisotopic Mass | 190.099379685 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 345 |
| 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 |
PRODUCT INTRODUCTION
description
(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available.