3-[(3-Methylbenzyl)oxy]benzoic acid - CAS 923132-86-9
Catalog: |
BB059243 |
Product Name: |
3-[(3-Methylbenzyl)oxy]benzoic acid |
CAS: |
923132-86-9 |
Synonyms: |
3-[(3-methylbenzyl)oxy]benzoic acid; 3-[(3-methylphenyl)methoxy]benzoic acid; 3-((3-Methylbenzyl)oxy)benzoic acid; 3-(3-methylbenzyloxy)benzoic acid; 3-((3-Methylbenzyl)oxy)benzoicacid |
IUPAC Name: | 3-[(3-methylphenyl)methoxy]benzoic acid |
Description: | 3-[(3-Methylbenzyl)oxy]benzoic acid |
Molecular Weight: | 242.27 |
Molecular Formula: | C15H14O3 |
Canonical SMILES: | CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C15H14O3/c1-11-4-2-5-12(8-11)10-18-14-7-3-6-13(9-14)15(16)17/h2-9H,10H2,1H3,(H,16,17) |
InChI Key: | CPFXBFCQYVWPFP-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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