33577-98-9
Product Name:
4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER
Formula:
C13H14O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 218.25 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 218.094294304 g/mol |
| Monoisotopic Mass | 218.094294304 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 311 |
| 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 |
PRODUCT INTRODUCTION
description
Methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate is a benzoate ester.