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CAS No.: | 32249-35-7 |
---|---|
Name: | Methyl 3-cyclopropyl-3-oxopropionate |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C7H10O3 |
Molecular Weight: | 142.155 |
Synonyms: | 3-Cyclopropyl-3-oxopropanoicacid methyl ester;3-Cyclopropyl-3-oxopropionic acid methyl ester;Methyl2-(cyclopropylcarbonyl)acetate;Methyl 3-cyclopropyl-3-oxopropanoate; |
Density: | 1.175 g/cm3 |
Boiling Point: | 192.983 °C at 760 mmHg |
Flash Point: | 74.14 °C |
Appearance: | Clear colorless oil |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
PSA: | 43.37000 |
LogP: | 0.52860 |
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The CAS register number of Cyclopropanepropanoicacid, b-oxo-, methyl ester is 32249-35-7. It also can be called as 3-Cyclopropyl-3-oxopropanoic acid methyl ester and the systematic name about this chemical is methyl 3-cyclopropyl-3-oxopropanoate. The molecular formula about this chemical is C7H10O3 and the molecular weight is 142.15. It belongs to the following product categories which include Acids and Derivatives; Carbonyl Compounds and so on.
Physical properties about Cyclopropanepropanoicacid, b-oxo-, methyl ester are: (1)ACD/LogP: 0.25; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 48; (7)ACD/KOC (pH 7.4): 48; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 43.37Å2; (11)Index of Refraction: 1.475; (12)Molar Refractivity: 34.081 cm3; (13)Molar Volume: 120.985 cm3; (14)Polarizability: 13.511x10-24cm3; (15)Surface Tension: 42.77 dyne/cm; (16)Enthalpy of Vaporization: 42.918 kJ/mol; (17)Boiling Point: 192.983 °C at 760 mmHg; (18)Vapour Pressure: 0.476 mmHg at 25°C.
Uses of Cyclopropanepropanoicacid, b-oxo-, methyl ester: it can be used to produce 3-cyclopropyl-3-hydroxy-proπonic acid methyl ester at temperature of 0 ℃. This reaction will need reagent NaBH4 and solvent methanol. The yield is about 65%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CC(=O)C1CC1
(2)InChI: InChI=1/C7H10O3/c1-10-7(9)4-6(8)5-2-3-5/h5H,2-4H2,1H3
(3)InChIKey: RIJWDPRXCXJDPK-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H10O3/c1-10-7(9)4-6(8)5-2-3-5/h5H,2-4H2,1H3
(5)Std. InChIKey: RIJWDPRXCXJDPK-UHFFFAOYSA-N