4-Methoxy-2-methylbenzoic acid - CAS 6245-57-4
Catalog: |
BB031596 |
Product Name: |
4-Methoxy-2-methylbenzoic acid |
CAS: |
6245-57-4 |
Synonyms: |
4-methoxy-2-methylbenzoic acid |
IUPAC Name: | 4-methoxy-2-methylbenzoic acid |
Description: | 4-Methoxy-2-methylbenzoic acid (CAS# 6245-57-4) is a useful research chemical. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | CC1=C(C=CC(=C1)OC)C(=O)O |
InChI: | InChI=1S/C9H10O3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11) |
InChI Key: | MSVRGYOYISBGTH-UHFFFAOYSA-N |
Boiling Point: | 294.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.168 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00020291 |
LogP: | 1.70180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112225728-A | Multi-substituted benzamide compound and preparation method and application thereof | 20200818 |
CN-112759531-A | Novel imine compound and preparation method thereof | 20191021 |
CN-112759672-A | Solid catalyst component for olefin polymerization, catalyst and application thereof | 20191021 |
CN-109232334-A | A kind of synthetic method of methylthiomethyl esters | 20180930 |
EP-3787669-A1 | Compounds for modulating ddah and adma levels, as well as methods of using thereof to treat disease | 20180430 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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