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151869-73-7

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Basic Information
CAS No.: 151869-73-7
Name: TETRAETHYL(CARBOXYETHYLIDENE)BISPHOSPHONATE
Article Data: 6
Molecular Structure:
Molecular Structure of 151869-73-7 (TETRAETHYL(CARBOXYETHYLIDENE)BISPHOSPHONATE)
Formula: C11H24O8P2
Molecular Weight: 346.254
Synonyms: 3,3-Bis(diethylphosphono)propanoicacid;Tetraethyl 2-Carboxyethylene-1,1-bisphosphonate;
Density: 1.241 g/cm3
Boiling Point: 463 °C at 760 mmHg
Flash Point: 233.8 °C
PSA: 127.98000
LogP: 3.31940
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Specification

The CAS registry number of Propanoic acid,3,3-bis(diethoxyphosphinyl)- is 151869-73-7. This chemical is also named as Tetraethyl(carboxyethylidene)bisphosphonate. In addition, its molecular formula is C11H24O8P2 and molecular weight is 346.25. Its systematic name is called 3,3-bis(diethoxyphosphoryl)propanoic acid.

Physical properties about Propanoic acid,3,3-bis(diethoxyphosphinyl)- are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.28; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 12; (10)Index of Refraction: 1.452; (11)Molar Refractivity: 75.26 cm3; (12)Molar Volume: 278.8 cm3; (13)Surface Tension: 42.4 dyne/cm; (14)Density: 1.241 g/cm3; (15)Flash Point: 233.8 °C; (16)Enthalpy of Vaporization: 79.35 kJ/mol; (17)Boiling Point: 463 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCC)(OCC)C(CC(O)=O)P(=O)(OCC)OCC
(2)InChI: InChI=1/C11H24O8P2/c1-5-16-20(14,17-6-2)11(9-10(12)13)21(15,18-7-3)19-8-4/h11H,5-9H2,1-4H3,(H,12,13)
(3)InChIKey: GDQZCDGSLKIQJU-UHFFFAOYAK