2-Methoxyphenylacetaldehyde dimethylacetal - CAS 1202864-78-5
Catalog: |
BB004775 |
Product Name: |
2-Methoxyphenylacetaldehyde dimethylacetal |
CAS: |
1202864-78-5 |
Synonyms: |
1-(2,2-dimethoxyethyl)-2-methoxybenzene |
IUPAC Name: | 1-(2,2-dimethoxyethyl)-2-methoxybenzene |
Description: | 2-Methoxyphenylacetaldehyde dimethylacetal (CAS# 1202864-78-5 ) is a useful research chemical. |
Molecular Weight: | 196.24 |
Molecular Formula: | C11H16O3 |
Canonical SMILES: | COC1=CC=CC=C1CC(OC)OC |
InChI: | InChI=1S/C11H16O3/c1-12-10-7-5-4-6-9(10)8-11(13-2)14-3/h4-7,11H,8H2,1-3H3 |
InChI Key: | IAUOVMNXNAEWSV-UHFFFAOYSA-N |
LogP: | 1.85660 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-I233809-B | Dosage forms for providing effective reboxetine therapy with once-a-day dosing | 19990915 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.109944368 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 27.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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