2-Benzyloxybenzoic acid - CAS 14389-86-7
Catalog: |
BB009685 |
Product Name: |
2-Benzyloxybenzoic acid |
CAS: |
14389-86-7 |
Synonyms: |
2-phenylmethoxybenzoic acid |
IUPAC Name: | 2-phenylmethoxybenzoic acid |
Description: | 2-Benzyloxybenzoic Acid has been used as a reactant in the synthesis of mycobactin S2. |
Molecular Weight: | 228.24 |
Molecular Formula: | C14H12O3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)O |
InChI: | InChI=1S/C14H12O3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16) |
InChI Key: | GMOYUTKNPLBTMT-UHFFFAOYSA-N |
Boiling Point: | 397.6 °C at 760 mmHg |
MDL: | MFCD00051940 |
LogP: | 2.96380 |
GHS Hazard Statement: | H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
19290598 | 20090422 | Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage | Journal of agricultural and food chemistry |
16403853 | 20060401 | Comparison of in vitro and in vivo estrogenic activity of UV filters in fish | Toxicological sciences : an official journal of the Society of Toxicology |
14871201 | 20040201 | Leaching of plasticizers from temporary denture soft lining materials | European journal of oral sciences |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.078644241 |
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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