2-Methylphenylacetaldehyde dimethyl acetal - CAS 134769-79-2
Catalog: |
BB008007 |
Product Name: |
2-Methylphenylacetaldehyde dimethyl acetal |
CAS: |
134769-79-2 |
Synonyms: |
1-(2,2-dimethoxyethyl)-2-methylbenzene |
IUPAC Name: | 1-(2,2-dimethoxyethyl)-2-methylbenzene |
Description: | 2-Methylphenylacetaldehyde dimethyl acetal (CAS# 134769-79-2 ) is a useful research chemical. |
Molecular Weight: | 180.24 |
Molecular Formula: | C11H16O2 |
Canonical SMILES: | CC1=CC=CC=C1CC(OC)OC |
InChI: | InChI=1S/C11H16O2/c1-9-6-4-5-7-10(9)8-11(12-2)13-3/h4-7,11H,8H2,1-3H3 |
InChI Key: | LQXUNLBAEJOILA-UHFFFAOYSA-N |
LogP: | 2.15640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2017081362-A1 | Inhibitor of Apoptosis Protein (IAP) Antagonists | 20121130 |
US-2002037885-A1 | Therapeutic compounds | 19990722 |
US-6313139-B1 | Benzylamine derivatives which are useful in treating psychiatric disorders | 19971014 |
DE-4234766-A1 | Process for the isolation or purification of aryl-acetaldehyde acetals | 19921015 |
DE-4234766-C2 | Process for the isolation or purification of aryl acetaldehyde acetals | 19921015 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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