5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid - CAS 934080-82-7
Catalog: |
BB049220 |
Product Name: |
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid |
CAS: |
934080-82-7 |
Synonyms: |
5-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxylicacid |
IUPAC Name: | 5-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxylic acid |
Description: | 5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid (CAS# 934080-82-7 ) is a useful research chemical. |
Molecular Weight: | 262.33 |
Molecular Formula: | C14H14O3S |
Canonical SMILES: | CC1=C(C=C(C=C1)OCC2=CC=C(S2)C(=O)O)C |
InChI: | InChI=1S/C14H14O3S/c1-9-3-4-11(7-10(9)2)17-8-12-5-6-13(18-12)14(15)16/h3-7H,8H2,1-2H3,(H,15,16) |
InChI Key: | HXNLMJOQNLGIPW-UHFFFAOYSA-N |
Boiling Point: | 451.3±45.0 °C at 760 mmHg |
Density: | 1.256±0.06 g/cm3 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.06636548 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.06636548 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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