4'-Methoxypropiophenone - CAS 121-97-1

Technical Data

IUPAC Name:	1-(4-methoxyphenyl)propan-1-one
Description:	4'-Methoxypropiophenone (CAS# 121-97-1) is a compound useful in organic synthesis.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CCC(=O)C1=CC=C(C=C1)OC
InChI:	InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
InChI Key:	ZJVAWPKTWVFKHG-UHFFFAOYSA-N
Boiling Point:	273-275 °C
Melting Point:	27-29°C
Flash Point:	62°C
Purity:	98 %
Density:	1.071 g/cm³
Solubility:	water, 791.1 mg/L @ 25 °C (est)
Appearance:	White crystal
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00009310
LogP:	2.28790
Refractive Index:	1.5465
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	0.0262mmHg at 25°C

GHS Hazard Statement:	H228 (50%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4