Methyl 4-hydroxy-3-methylbenzoate - CAS 42113-13-3
Catalog: |
BB046630 |
Product Name: |
Methyl 4-hydroxy-3-methylbenzoate |
CAS: |
42113-13-3 |
Synonyms: |
4-hydroxy-3-methylbenzoic acid methyl ester; 3-methyl-4-hydroxybenzoic acid methyl ester; Methyl 3-methyl-4-hydroxybenzoate |
IUPAC Name: | methyl 4-hydroxy-3-methyl-benzoate |
Description: | Methyl 4-hydroxy-3-methylbenzoate (CAS# 42113-13-3 ) is a useful research chemical. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)OC)O |
InChI: | InChI=1S/C9H10O3/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5,10H,1-2H3 |
InChI Key: | QBMHMOKIFSCFCX-UHFFFAOYSA-N |
Boiling Point: | 282.9±20.0 °C (Predicted) |
Melting Point: | 124-125 °C |
Purity: | ≥ 95 % |
Density: | 1.169±0.06 g/cm3 (Predicted) |
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: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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