trans-Styrylacetic acid - CAS 1914-58-5
Catalog: |
BB014813 |
Product Name: |
trans-Styrylacetic acid |
CAS: |
1914-58-5 |
Synonyms: |
(E)-4-phenylbut-3-enoic acid |
IUPAC Name: | (E)-4-phenylbut-3-enoic acid |
Description: | trans-Styrylacetic acid (CAS# 1914-58-5) is a useful research chemical. |
Molecular Weight: | 162.19 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | C1=CC=C(C=C1)C=CCC(=O)O |
InChI: | InChI=1S/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)/b7-4+ |
InChI Key: | PSCXFXNEYIHJST-QPJJXVBHSA-N |
Boiling Point: | 302 °C at 760 mmHg |
Melting Point: | 82-88 °C |
Purity: | 98 % |
Density: | 1.145 g/cm3 |
Appearance: | White to yellow powder or crystals |
Storage: | Refrigerator (+4 °C) |
MDL: | MFCD00002783 |
LogP: | 2.17450 |
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 |
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PMID | Publication Date | Title | Journal |
22033090 | 20120901 | Fragrance material review on 4-phenyl-3-buten-2-ol | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
22285027 | 20120215 | Synthesis and antimalarial and antituberculosis activities of a series of natural and unnatural 4-methoxy-6-styryl-pyran-2-ones, dihydro analogues and photo-dimers | Bioorganic & medicinal chemistry |
21898549 | 20120101 | p38 MAPK activation, JNK inhibition, neoplastic growth inhibition, and increased gap junction communication in human lung carcinoma and Ras-transformed cells by 4-phenyl-3-butenoic acid | Journal of cellular biochemistry |
20836657 | 20110401 | Enhanced neuropeptide Y synthesis during intermittent hypoxia in the rat adrenal medulla: role of reactive oxygen species-dependent alterations in precursor peptide processing | Antioxidants & redox signaling |
20715282 | 20100903 | Probing the peptidylglycine alpha-hydroxylating monooxygenase active site with novel 4-phenyl-3-butenoic acid based inhibitors | ChemMedChem |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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