18490-95-4
Product Name:
BREVIFOLINCARBOXYLICACID
Formula:
C13H8O8
Synonyms:
1,2,3,5-Tetrahydro-7,8,9-trihydroxy-3,5-dioxocyclopenta[c][2]benzopyran-1-carboxylic acid
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 292.20 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 292.02191721 g/mol |
| Monoisotopic Mass | 292.02191721 g/mol |
| Topological Polar Surface Area | 141 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 565 |
| 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 |
PRODUCT INTRODUCTION
description
Brevifolincarboxylic acid is a natural product found in Melaleuca leucadendra, Euphorbia maculata, and other organisms with data available.