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144368-21-8

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Basic Information
CAS No.: 144368-21-8
Name: ITACONIC ACID
Article Data: 16
Molecular Structure:
Molecular Structure of 144368-21-8 (ITACONIC ACID)
Formula: C6H8O4
Molecular Weight: 144.127
Synonyms: (E)-Ethylidenesuccinicacid;
EINECS: 202-599-6
Density: 1.307 g/cm3
Melting Point: 165-168ºC(lit.)
Boiling Point: 379.3 °C at 760 mmHg
Flash Point: 197.3 °C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 74.60000
LogP: 0.10190
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  • (2E)-2-Ethylidenebutanedioic acid

  • Casno:

    144368-21-8

    (2E)-2-Ethylidenebutanedioic acid

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

  •  Zibo Hangyu Biotechnology Development Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-15965530500

    Address:Room1701, Tianxing Building,Licheng district, jinan, Shandong, China

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  • (2E)-2-Ethylidenebutanedioic acid

  • Casno:

    144368-21-8

    (2E)-2-Ethylidenebutanedioic acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    factory?direct?sale Application:healing drugs

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

  •  Antimex Chemical Limied

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:0086-21-50563169

    Address:Room1027,No.Jinyu Road,Pudong

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  • (2E)-2-Ethylidenebutanedioic acid

  • Casno:

    144368-21-8

    (2E)-2-Ethylidenebutanedioic acid

    Min.Order: 100 Gram

    FOB Price:  USD $ 0.0-0.0

    ItaconicacidProductNameItaconicacidAssay99.5%Price11000Yuan/TPlaceofDeliveryShanghaiPacking25KG/paper-plasticcompositbag,orinaccordwithclient'srequi..…Appearance:144.12 Package:plastic bags Transportation:via shipping Port:DOUALA PORT

  • PHARMACUTILAR CO, INC

    Cameroon  |  Contact Details

    Business Type:Other

    Tel:237-451-77412584

    Address:DOUALA, BONASAMA STREET,BLOCK 6

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Specification

This chemical is called (2E)-2-Ethylidenebutanedioic acid, and it can also be named as butanedioic acid, 2-ethylidene-, (2E)-. With the molecular formula of C6H8O4, its molecular weight is 144.12. The CAS registry number of this chemical is 144368-21-8. 

Other characteristics of the (2E)-2-Ethylidenebutanedioic acid can be summarised as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.52; (4)ACD/LogD (pH 7.4): -3.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 32.87 cm3; (15)Molar Volume: 110.2 cm3; (16)Polarizability: 13.03×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.307 g/cm3; (19)Flash Point: 197.3 °C; (20)Enthalpy of Vaporization: 68.87 kJ/mol; (21)Boiling Point: 379.3 °C at 760 mmHg; (22)Vapour Pressure: 8.43E-07 mmHg at 25°C. 

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)/C(=C/C)CC(=O)O
2.InChI: InChI=1/C6H8O4/c1-2-4(6(9)10)3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
3.InChIKey: NRSMWHGLCNBZSO-DUXPYHPUBU