4-tert-Butylphenylacetic Acid - CAS 32857-63-9
Catalog: |
BB021441 |
Product Name: |
4-tert-Butylphenylacetic Acid |
CAS: |
32857-63-9 |
Synonyms: |
2-(4-tert-butylphenyl)acetic acid; 2-(4-tert-butylphenyl)acetic acid |
IUPAC Name: | 2-(4-tert-butylphenyl)acetic acid |
Description: | 4-tert-Butylphenylacetic Acid (CAS# 32857-63-9) is a useful research chemical. |
Molecular Weight: | 192.25 |
Molecular Formula: | C12H16O2 |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)CC(=O)O |
InChI: | InChI=1S/C12H16O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14) |
InChI Key: | RUAYXHSDAMWEDR-UHFFFAOYSA-N |
Boiling Point: | 302.8 °C at 760 mmHg |
Density: | 1.047 g/cm3 |
MDL: | MFCD00082593 |
LogP: | 2.61120 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020399271-A1 | Xanthine analogs as potent anti-west nile viral agents | 20190620 |
WO-2020216378-A1 | Heterocyclic compound, application thereof, and composition containing same | 20190426 |
WO-2019145726-A1 | Compounds | 20180126 |
EP-3743406-A1 | Compounds | 20180126 |
US-2020361871-A1 | Compounds | 20180126 |
PMID | Publication Date | Title | Journal |
21201171 | 20080920 | (4-tert-Butyl-phenyl)-acetic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.115029749 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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