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. | ipr-mus TDLo:49700 µg/kg/4D-I:CAR | CNREA8 Cancer Research. 47 (1987),2275. |
A questionable carcinogen. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
DOT Classification: 3; Label: Flammable Liquid
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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