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5,7-Dodecadiynedioicacid

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Name

5,7-Dodecadiynedioicacid

EINECS N/A
CAS No. 28393-04-6 Density 1.217 g/cm3
PSA 74.60000 LogP 1.50300
Solubility N/A Melting Point 142 °C
Formula C12H14O4 Boiling Point 494.6 °C at 760 mmHg
Molecular Weight 222.241 Flash Point 267 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 28393-04-6 (5,7-DODECADIYNEDIOIC ACID) Hazard Symbols N/A
Synonyms

5,7-DODECADIYNEDIOIC ACID;5,7-DODECADIYNDIOIC ACID;TIMTEC-BB SBB008729;5,7-DODECADIYNEDIOIC ACID 98%

Article Data 5

5,7-Dodecadiynedioicacid Specification

The 5,7-Dodecadiynedioicacid, with CAS registry number 28393-04-6, has the systematic name of dodeca-5,7-diynedioic acid. Its molecular weight is 222.24. And the chemical formula of this chemical is C12H14O4. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of 5,7-Dodecadiynedioicacid: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): -2.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.29; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 56.78 cm3; (15)Molar Volume: 182.4 cm3; (16)Polarizability: 22.51×10-24cm3; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.217 g/cm3; (19)Flash Point: 267 °C; (20)Enthalpy of Vaporization: 83.43 kJ/mol; (21)Boiling Point: 494.6 °C at 760 mmHg; (22)Vapour Pressure: 3.94E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCC#CC#CCCCC(=O)O
(2)InChI: InChI=1/C12H14O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h5-10H2,(H,13,14)(H,15,16)
(3)InChIKey: SVCWXPPYJQWHRS-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H14O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h5-10H2,(H,13,14)(H,15,16)
(5)Std. InChIKey: SVCWXPPYJQWHRS-UHFFFAOYSA-N

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