2-(Allyloxy)benzoic acid - CAS 59086-52-1
Catalog: |
BB030265 |
Product Name: |
2-(Allyloxy)benzoic acid |
CAS: |
59086-52-1 |
Synonyms: |
2-prop-2-enoxybenzoic acid; 2-prop-2-enoxybenzoic acid |
IUPAC Name: | 2-prop-2-enoxybenzoic acid |
Description: | 2-(Allyloxy)benzoic acid (CAS# 59086-52-1) is a useful research chemical. |
Molecular Weight: | 178.18 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | C=CCOC1=CC=CC=C1C(=O)O |
InChI: | InChI=1S/C10H10O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2,(H,11,12) |
InChI Key: | XPWMIGFSEWFXEZ-UHFFFAOYSA-N |
Boiling Point: | 316.9 °C at 760 mmHg |
Density: | 1.156 g/cm3 |
MDL: | MFCD00526543 |
LogP: | 1.94960 |
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 |
15202905 | 20040625 | Facile and selective deallylation of allyl ethers using diphosphinidenecyclobutene-coordinated palladium catalysts | The Journal of organic chemistry |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.062994177 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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