4-Ethyl-5-methylthiophene-3-carboxylic acid - CAS 884497-34-1
Catalog: |
BB045547 |
Product Name: |
4-Ethyl-5-methylthiophene-3-carboxylic acid |
CAS: |
884497-34-1 |
Synonyms: |
3-Thiophenecarboxylic acid, 4-ethyl-5-methyl- |
IUPAC Name: | 4-ethyl-5-methylthiophene-3-carboxylic acid |
Description: | 4-Ethyl-5-methylthiophene-3-carboxylic acid (CAS# 884497-34-1 ) is a useful research chemical. |
Molecular Weight: | 170.23 |
Molecular Formula: | C8H10O2S |
Canonical SMILES: | CCC1=C(SC=C1C(=O)O)C |
InChI: | InChI=1S/C8H10O2S/c1-3-6-5(2)11-4-7(6)8(9)10/h4H,3H2,1-2H3,(H,9,10) |
InChI Key: | PLGXACUSGWZNKZ-UHFFFAOYSA-N |
Boiling Point: | 282.1 °C at 760 mmHg |
Density: | 1.211 g/cm3 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.04015073 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.04015073 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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