3-Methoxy-4-methylthiophene-2-carboxylic acid - CAS 83261-25-0
Catalog: |
BB049054 |
Product Name: |
3-Methoxy-4-methylthiophene-2-carboxylic acid |
CAS: |
83261-25-0 |
Synonyms: |
3-Methoxy-4-methyl-2-thiophenecarboxylic acid; 2-Thiophenecarboxylic acid, 3-methoxy-4-methyl- |
IUPAC Name: | 3-methoxy-4-methylthiophene-2-carboxylic acid |
Description: | 3-Methoxy-4-methylthiophene-2-carboxylic acid (CAS# 83261-25-0 ) is a useful research chemical. |
Molecular Weight: | 172.20 |
Molecular Formula: | C7H8O3S |
Canonical SMILES: | CC1=CSC(=C1OC)C(=O)O |
InChI: | InChI=1S/C7H8O3S/c1-4-3-11-6(7(8)9)5(4)10-2/h3H,1-2H3,(H,8,9) |
InChI Key: | UQXXEJYOFLKCHS-UHFFFAOYSA-N |
Boiling Point: | 296.6±35.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.3±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.01941529 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.01941529 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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