Methyl 5-hydroxy-3-methylbenzoate - CAS 2615-71-6
Catalog: |
BB059546 |
Product Name: |
Methyl 5-hydroxy-3-methylbenzoate |
CAS: |
2615-71-6 |
Synonyms: |
Methyl 3-hydroxy-5-methylbenzoate; Methyl 5-hydroxy-3-methylbenzoate; 3-Hydroxy-5-methyl-benzoic acid methyl ester; Methyl3-hydroxy-5-methylbenzoate; methyl 3-hydroxy-5-methyl-benzoate |
IUPAC Name: | methyl 3-hydroxy-5-methylbenzoate |
Description: | Methyl 5-hydroxy-3-methylbenzoate |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | CC1=CC(=CC(=C1)O)C(=O)OC |
InChI: | InChI=1S/C9H10O3/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5,10H,1-2H3 |
InChI Key: | PBUWDSBWYMQASI-UHFFFAOYSA-N |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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