4-Propoxybenzoic acid - CAS 5438-19-7
Catalog: |
BB028629 |
Product Name: |
4-Propoxybenzoic acid |
CAS: |
5438-19-7 |
Synonyms: |
Benzoic acid, 4-propoxy-; Benzoic acid, p-propoxy-; 4-Propyloxybenzoic acid; NSC 16632; p-(n-Propoxy)benzoic acid; p-Propoxybenzoic acid |
IUPAC Name: | 4-propoxybenzoic acid |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CCCOC1=CC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
InChI Key: | GDFUWFOCYZZGQU-UHFFFAOYSA-N |
Boiling Point: | 304.9±15.0°C at 760 mmHg |
Melting Point: | 144-146°C |
Purity: | ≥95% |
Density: | 1.133±0.06 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00013989 |
LogP: | 2.17360 |
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 |
15912003 | 20050101 | Synthesis and characterization of polyanhydride for local BCNU delivery carriers | Bio-medical materials and engineering |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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