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CAS No.: | 26964-04-5 |
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Name: | 2-methoxy-4-methyl-1,3,2-dioxaphospholane 2-oxide |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C4H9O4P |
Molecular Weight: | 152.087 |
Synonyms: | Phosphoricacid, cyclic propylene methyl ester (8CI);1,2-Propanediol, cyclic methylphosphate (8CI);NSC 115670; |
Density: | 1.248 g/cm3 |
Boiling Point: | 169.311 °C at 760 mmHg |
Flash Point: | 70.583 °C |
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The 1,3,2-Dioxaphospholane,2-methoxy-4-methyl-, 2-oxide, with the CAS registry number 26964-04-5, is also known as Phosphoricacid, cyclic propylene methyl ester (8CI). This chemical's molecular formula is C4H9O4P and molecular weight is 152.09. What's more, its systematic name is called 2-Methoxy-4-methyl-1,3,2-dioxaphospholane 2-oxide.
Physical properties about 1,3,2-Dioxaphospholane,2-methoxy-4-methyl-, 2-oxide are: (1)ACD/LogP: -0.523; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.52; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 12.38; (8)ACD/KOC (pH 7.4): 12.38; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.414; (14)Molar Refractivity: 30.457 cm3; (15)Molar Volume: 121.891 cm3; (16)Polarizability: 12.074×10-24cm3; (17)Surface Tension: 32.423 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 70.583 °C; (20)Enthalpy of Vaporization: 38.906 kJ/mol; (21)Boiling Point: 169.311 °C at 760 mmHg; (22)Vapour Pressure: 2.06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=P1(OC)OCC(O1)C
(2) InChI: InChI=1S/C4H9O4P/c1-4-3-7-9(5,6-2)8-4/h4H,3H2,1-2H3
(3) InChIKey: FVCRLOBQAGTJHO-UHFFFAOYSA-N