4-Biphenylacetaldehyde - CAS 61502-90-7
Catalog: |
BB073329 |
Product Name: |
4-Biphenylacetaldehyde |
CAS: |
61502-90-7 |
Synonyms: |
2-([1,1'-biphenyl]-4-yl)acetaldehyde; 2-(4-phenylphenyl)acetaldehyde; biphenyl-4-ylacetaldehyde; 4-biphenylacetaldehyde; 2-{[1,1'-biphenyl]-4-yl}acetaldehyde; (biphenyl-4-yl)ethanone; 2-(biphenyl-4-yl)acetaldehyde |
IUPAC Name: | 2-(4-phenylphenyl)acetaldehyde |
Molecular Weight: | 196.24 |
Molecular Formula: | C15H14O |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC=C(C=C2)CC=O |
InChI: | InChI=1S/C14H12O/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2 |
InChI Key: | OIDMZCMVYZLDLI-UHFFFAOYSA-N |
References: | Abdu-Allah, H. et al. J. Med. Chem., 51, 6665 (2008). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.088815002 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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