2',4'-Dimethylacetophenone - CAS 89-74-7

Technical Data

IUPAC Name:	1-(2,4-dimethylphenyl)ethanone
Description:	2',4'-Dimethylacetophenone (CAS# 89-74-7) is a useful research chemical.
Molecular Weight:	148.20
Molecular Formula:	C10H12O
Canonical SMILES:	CC1=CC(=C(C=C1)C(=O)C)C
InChI:	InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
InChI Key:	HSDSKVWQTONQBJ-UHFFFAOYSA-N
Boiling Point:	119-121 °C (10 mmHg)
Purity:	95 %
Density:	0.997 g/cm³
Solubility:	334.1 mg/L at 25 °C (est)
Appearance:	Clear colorless to very slightly yellow liquid
Storage:	Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00003571
LogP:	2.50600

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.088815002
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3