| Sonrisas canónicas | CC1=C(C=C(C=C1)C(=O)OC(C)(C)C)OC |
|---|---|
| IUPAC Name | tert-butyl 3-methoxy-4-methylbenzoate |
| InChIKey | XTRDRJZXPPUNAN-UHFFFAOYSA-N |
| INCHI | 1S/C13H18O3/c1-9-6-7-10(8-11(9)15-5)12(14)16-13(2,3)4/h6-8H,1-5H3 |
| Peso molecular | 222.280 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Methoxybenzoic acids and derivatives |
| Direct Parent | M-methoxybenzoic acids and derivatives |
| Alternative Parents | Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Toluenes Alkyl aryl ethers Carboxylic acid esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. |
| External Descriptors | Not available |
| Peso molecular | 222.280 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 222.126 Da |
| Monoisotopic Mass | 222.126 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
