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Name	1'-Oxoestragole	EINECS	N/A
CAS No.	7448-86-4	Density	1.035g/cm³
PSA	26.30000	LogP	2.06390
Solubility	N/A	Melting Point	N/A
Formula	C₁₀H₁₀O₂	Boiling Point	266.2°Cat760mmHg
Molecular Weight	162.188	Flash Point	116.2°C
Transport Information	N/A	Appearance	N/A
Safety	A questionable carcinogen. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	p-methoxyphenyl vinyl ketone;p-Methoxyacrylophenone;ACRYLOPHENONE,4'-METHOXY;4'-Methoxyacrylophenone;1'-Oxoestragole;	Article Data	66

1'-Oxoestragole Chemical Properties

Product Name: 1'-Oxoestragole
CAS Registry Number: 7448-86-4
Synonyms: 1'-Oxoestragole ; 1-(4-Methoxyphenyl)-2-propen-1-one ; 4'-Methoxyacrylophenone ; 4-08-00-00887 (Beilstein Handbook Reference) ; BRN 2041093 ; p-Methoxyacrylophenone ; p-Methoxyphenyl vinyl ketone
Systematic Name: 2-Propen-1-one, 1-(4-methoxyphenyl)- (9CI) ; Acrylophenone, 4'-methoxy
IUPAC Name: 1-(4-methoxyphenyl)prop-2-en-1-one
Molecular Weight: 162.1852 [g/mol]
Molecular Formula: C₁₀H₁₀O₂
XLogP3: 2.3
Surface Tension: 33.9 dyne/cm
Density: 1.035 g/cm³
Flash Point: 116.2 °C
Enthalpy of Vaporization: 50.42 kJ/mol
Boiling Point: 266.2 °C at 760 mmHg
Vapour Pressure: 0.00875 mmHg at 25°C
Following is the molecular structure of 1'-Oxoestragole (CAS NO.7448-86-4) is:

1'-Oxoestragole Toxicity Data With Reference

ipr-mus TDLo:49700 µg/kg/4D-I:CAR

CNREA8 Cancer Research. 47 (1987),2275.

1'-Oxoestragole Safety Profile

A questionable carcinogen. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

1'-Oxoestragole Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

1'-Oxoestragole Specification

Descriptors computed from structure, you can know some information about 1'-Oxoestragole (CAS NO.7448-86-4) :
Canonical SMILES: COC1=CC=C(C=C1)C(=O)C=C
InChI: InChI=1S/C10H10O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h3-7H,1H2,2H3
InChIKey: YMESWDPSFKMFND-UHFFFAOYSA-N
Exact Mass: 162.06808
MonoIsotopic Mass: 162.06808
Topological Polar Surface Area: 26.3
Heavy Atom Count: 12

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