4-Ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid - CAS 869950-31-2
Catalog: |
BB049880 |
Product Name: |
4-Ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid |
CAS: |
869950-31-2 |
Synonyms: |
4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylicacid |
IUPAC Name: | 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid |
Description: | 4-Ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid (CAS# 869950-31-2 ) is a useful research chemical. |
Molecular Weight: | 246.33 |
Molecular Formula: | C14H14O2S |
Canonical SMILES: | CCC1=C(SC(=C1)C(=O)O)C2=CC=C(C=C2)C |
InChI: | InChI=1S/C14H14O2S/c1-3-10-8-12(14(15)16)17-13(10)11-6-4-9(2)5-7-11/h4-8H,3H2,1-2H3,(H,15,16) |
InChI Key: | KUUFNHKWKCKRDQ-UHFFFAOYSA-N |
Boiling Point: | 425.4±45.0 °C (Predicted) |
Density: | 1.196±0.06 g/cm3(Predicted) |
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: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.07145086 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.07145086 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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