3-[(3-Methylbenzyl)oxy]benzaldehyde - CAS 590354-44-2
Catalog: |
BB047139 |
Product Name: |
3-[(3-Methylbenzyl)oxy]benzaldehyde |
CAS: |
590354-44-2 |
Synonyms: |
3-[(3-methylbenzyl)oxy]benzaldehyde |
IUPAC Name: | 3-[(3-methylphenyl)methoxy]benzaldehyde |
Description: | 3-[(3-Methylbenzyl)oxy]benzaldehyde (CAS# 590354-44-2 ) is a useful research chemical. |
Molecular Weight: | 226.27 |
Molecular Formula: | C15H14O2 |
Canonical SMILES: | CC1=CC(=CC=C1)COC2=CC=CC(=C2)C=O |
InChI: | InChI=1S/C15H14O2/c1-12-4-2-6-14(8-12)11-17-15-7-3-5-13(9-15)10-16/h2-10H,11H2,1H3 |
InChI Key: | KUBQGVFWIDMJLR-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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