CAS No.13169-00-1,METHOXYALLENE; 95%DISCONTINUED 05/24/01 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13169-00-1
Name:	METHOXYALLENE; 95%DISCONTINUED 05/24/01
Article Data:	1

Formula:	C₄H₆O
Molecular Weight:	70.091
Synonyms:	Methyl propadienyl ether;NSC 363923;Ether,methyl propadienyl (8CI);1-Methoxy-1,2-propadiene;1-Methoxyallene;1-Methoxypropadiene;Allenyl methyl ether;Methoxyallene;Methoxypropadiene;
Density:	0.74 g/cm³
Boiling Point:	48.2 °C at 760 mmHg
Flash Point:	-29 °C
Appearance:	UN 1993
Hazard Symbols:	F
Risk Codes:	11
PSA:	9.23000
LogP:	0.93140

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Specification

This chemical is called 1,2-Propadiene,1-methoxy- (9CI), and its IUPAC name is 1-methoxypropa-1,2-diene. With the molecular formula of C₄H₆O, its molecular weight is 70.08984. The CAS registry number of this chemical is 13169-00-1. As it's flammable, keep it away from the sources of ignition.

Other characteristics of the 1,2-Propadiene,1-methoxy- (9CI) can be summarised as followings: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 1.81; (6)ACD/BCF (pH 7.4): 1.81; (7)ACD/KOC (pH 5.5): 53.26; (8)ACD/KOC (pH 7.4): 53.26; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.382; (14)Molar Refractivity: 22.03 cm³; (15)Molar Volume: 94.6 cm³; (16)Polarizability: 8.73×10^-24cm³; (17)Surface Tension: 7.8 dyne/cm; (18)Density: 0.74 g/cm³; (19)Enthalpy of Vaporization: 27.97 kJ/mol; (20)Boiling Point: 48.2 °C at 760 mmHg; (21)Vapour Pressure: 327 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: C(=C)=C/OC
2.InChI: InChI=1/C4H6O/c1-3-4-5-2/h4H,1H2,2H3
3.InChIKey: RRWJXAJEGRDMQH-UHFFFAOYAJ