3-Ethylsalicylaldehyde - CAS 73289-91-5

Catalog:	BB065682
Product Name:	3-Ethylsalicylaldehyde
CAS:	73289-91-5
Synonyms:	3-Ethyl-2-hydroxybenzaldehyde; 3-Ethylsalicylaldehyde; 3-Ethyl-2-hydroxybenzaldehyde

Technical Data

IUPAC Name:	3-ethyl-2-hydroxybenzaldehyde
Description:	3-Ethylsalicylaldehyde is an intermediate in the synthesis of thiosemicarbazones, inhibitors of lysophosphatidic acid acyltransferase.
Molecular Weight:	150.17
Molecular Formula:	C9H10O2
Canonical SMILES:	CCC1=C(C(=CC=C1)C=O)O
InChI:	InChI=1S/C9H10O2/c1-2-7-4-3-5-8(6-10)9(7)11/h3-6,11H,2H2,1H3
InChI Key:	GEAPDYBQINBSRA-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly),
Appearance:	Colourless to Pale Red Oil
Storage:	4°C, Inert atmosphere
References:	PCT Int. Appl.В (2015),В WOВ 2015157242В A1В 20151015. Johnston, E V., et al. J. Org. Chem., 75, 4596 (2010).

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.068079557
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4