4-Methoxy-cyclohexanecarbaldehyde - CAS 120552-57-0
Catalog: |
BB076126 |
Product Name: |
4-Methoxy-cyclohexanecarbaldehyde |
CAS: |
120552-57-0 |
Synonyms: |
4-Methoxycyclohexanecarboxaldehyde |
IUPAC Name: | 4-methoxycyclohexane-1-carbaldehyde |
Description: | 4-Methoxy-cyclohexanecarbaldehyde is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 142.19 |
Molecular Formula: | C8H14O2 |
Canonical SMILES: | COC1CCC(CC1)C=O |
InChI: | InChI=1S/C8H14O2/c1-10-8-4-2-7(6-9)3-5-8/h6-8H,2-5H2,1H3 |
InChI Key: | YRBWGQDHNJVXSO-UHFFFAOYSA-N |
References: | Fiesselmann, H. Ber. Dtsch. Chem. Ges. B., 75B, 881 (1942); Lill, A. P., et al. Eur. J. Med. Chem., 89, 503 (2015). |
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: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.099379685 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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