6-Phenylhexanoic acid - CAS 5581-75-9
Catalog: |
BB029186 |
Product Name: |
6-Phenylhexanoic acid |
CAS: |
5581-75-9 |
Synonyms: |
6-phenylhexanoic acid |
IUPAC Name: | 6-phenylhexanoic acid |
Description: | 6-Phenylhexanoic acid (CAS# 5581-75-9) is a compound useful in organic synthesis. |
Molecular Weight: | 192.25 |
Molecular Formula: | C12H16O2 |
Canonical SMILES: | C1=CC=C(C=C1)CCCCCC(=O)O |
InChI: | InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14) |
InChI Key: | JTXZPQIXIXYMDY-UHFFFAOYSA-N |
Boiling Point: | 201-202 °C / 24 mmHg (lit.) |
Density: | 1.022 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00014381 |
LogP: | 2.87410 |
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 |
22223342 | 20120101 | Protective effects of 4-phenylbutyrate derivatives on the neuronal cell death and endoplasmic reticulum stress | Biological & pharmaceutical bulletin |
22694214 | 20120101 | Secondary metabolites from fungus Nigrospora sp | Journal of Asian natural products research |
21261834 | 20080301 | Poly-3-hydroxyalkanoate synthases from Pseudomonas putida U: substrate specificity and ultrastructural studies | Microbial biotechnology |
17559393 | 20070801 | Identification and properties of an inducible phenylacyl-CoA dehydrogenase in Pseudomonas putida KT2440 | FEMS microbiology letters |
17190569 | 20061221 | Effects of chromophore orientation and molecule conformation on surface-enhanced Raman scattering studied with alkanoic acids and colloidal silver nanoparticles | The Journal of chemical physics |
Complexity: | 160 |
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: | 6 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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