1-3-Ethyl-4-(hydroxymethyl)-phenyl)ethanone - CAS 1378888-43-7
Catalog: |
BB063234 |
Product Name: |
1-3-Ethyl-4-(hydroxymethyl)-phenyl)ethanone |
CAS: |
1378888-43-7 |
Synonyms: |
1-(3-Ethyl-4-(hydroxymethyl)phenyl)ethanone; 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethan-1-one; 1-(3-Ethyl-4-(hydroxymethyl)phenyl)ethan-1-one; 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone; 1-(3-ethyl-4-hydroxymethylphenyl)ethanone; Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]- |
IUPAC Name: | 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CCC1=C(C=CC(=C1)C(=O)C)CO |
InChI: | InChI=1S/C11H14O2/c1-3-9-6-10(8(2)13)4-5-11(9)7-12/h4-6,12H,3,7H2,1-2H3 |
InChI Key: | UAOSVSMWAUFYMM-UHFFFAOYSA-N |
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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