4-Phenylthiophene-3-carboxylic Acid - CAS 23062-42-2
Catalog: |
BB017899 |
Product Name: |
4-Phenylthiophene-3-carboxylic Acid |
CAS: |
23062-42-2 |
Synonyms: |
4-phenyl-3-thiophenecarboxylic acid; 4-phenylthiophene-3-carboxylic acid |
IUPAC Name: | 4-phenylthiophene-3-carboxylic acid |
Description: | 4-Phenylthiophene-3-carboxylic Acid (CAS# 23062-42-2) is a useful research chemical. |
Molecular Weight: | 204.25 |
Molecular Formula: | C11H8O2S |
Canonical SMILES: | C1=CC=C(C=C1)C2=CSC=C2C(=O)O |
InChI: | InChI=1S/C11H8O2S/c12-11(13)10-7-14-6-9(10)8-4-2-1-3-5-8/h1-7H,(H,12,13) |
InChI Key: | ZNTFBJWDGATWSI-UHFFFAOYSA-N |
Boiling Point: | 315.5 ℃ at 760 mmHg |
Density: | 1.303 g/cm3 |
LogP: | 3.11330 |
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-107849035-A | A kind of phenyl heterocycles derivative and its purposes in medicine | 20151229 |
WO-2017114377-A1 | Benzyl heterocyclic compound derivative and pharmaceutical application thereof | 20151229 |
US-2014329674-A1 | Honeybee Repellents and Uses Thereof | 20130503 |
US-2016251312-A1 | Honeybee Repellents and Uses Thereof | 20130503 |
US-9357781-B2 | Honeybee repellents and uses thereof | 20130503 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.02450067 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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