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39751-07-0

Basic Information
CAS No.: 39751-07-0
Name: adamantane-2,6-dione
Article Data: 11
Molecular Structure:
Molecular Structure of 39751-07-0 (adamantane-2,6-dione)
Formula: C10H12O2
Molecular Weight: 164.201080
Synonyms: 2,6-Adamantandione;
Density: 1.239 g/cm3
Melting Point: 323-323.4 °C
Boiling Point: 306.7 °C at 760 mmHg
Flash Point: 114.7 °C
PSA: 34.14000
LogP: 1.19060
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    Tel:86-571-85586718

    Address:join hands science park,NO.4028 nanhuan road,hanghzou ,zhejiang,china

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  • 2,6-AdaMantanedione

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    39751-07-0

    2,6-AdaMantanedione

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    We are a trading company aiming at providing high-quality services to customers. Established for many years, with good reputation in the industry Storage:Sealed and preserved Application:Fine chemical intermediates, used as the main raw material for

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    Address:Jiaojiang District, Taizhou, Zhejiang, China.

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  • 2,6-adamantanedione

  • Casno:

    39751-07-0

    2,6-adamantanedione

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    We have two R&D center both in Suzhou and Nanjing. The R&D Center owns labs with 2500m3612 Production Base. And excellent staff, advanced equipments ,instruments, strict quality management system enhance our competitiveness.We are good at rare&hard t

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  • 2,6-Adamantanedione

  • Casno:

    39751-07-0

    2,6-Adamantanedione

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    Prime Molecular Co., Ltd. is a high-tech enterprise providing comprehensive customer service for pharmaceutical companies at home and abroad in accordance with international standards. Two R&D centers and two production sites in China, all well-equip

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  • 2,6-AdaMantanedione

  • Casno:

    39751-07-0

    2,6-AdaMantanedione

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Hangzhou Keying Chem Co., Ltd. Is a comprehensive enterprise, dedicated to the development, production and marketing of chemicals. As a technology innovative and service professional enterprise, Our company mainly engages in global pharmaceutical, ch

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Specification

The Tricyclo[3.3.1.13,7]decane-2,6-dione, with the CAS registry number of 39751-07-0, is also known as 2,6-Adamantandione. Its molecular formula is C10H12O2 and molecular weight is 164.201080. What's more, its IUPAC name is Adamantane-2,6-dione.

Physical properties about the Tricyclo[3.3.1.13,7]decane-2,6-dione are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.38; (8)ACD/KOC (pH 7.4): 29.38; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 42.48 cm3; (15)Molar Volume: 132.4 cm3; (16)Surface Tension: 45.6 dyne/cm; (17)Density: 1.239 g/cm3; (18)Flash Point: 114.7 °C; (19)Enthalpy of Vaporization: 54.73 kJ/mol; (20)Boiling Point: 306.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000758 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2C1CC3C(=O)C(C1)CC2C3
(2) InChI: InChI=1/C10H12O2/c11-9-5-1-6-3-8(9)4-7(2-5)10(6)12/h5-8H,1-4H2
(3) InChIKey: UBIAKEDDKXHXTB-UHFFFAOYAX