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105405-00-3

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Basic Information
CAS No.: 105405-00-3
Name: 2,7-DIMETHOXY-3,6-BIS(METHYLSELENO)-NAPHTHALENE
Molecular Structure:
Molecular Structure of 105405-00-3 (2,7-DIMETHOXY-3,6-BIS(METHYLSELENO)-NAPHTHALENE)
Formula: C14H16O2Se2
Molecular Weight: 374.20
Synonyms: 2,7-Dimethoxy-3,6-bis(methylseleno)naphthalene;
Melting Point: 210 °C
Boiling Point: 470.5 °C at 760 mmHg
Flash Point: 238.3 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 18.46000
LogP: 1.61220
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Specification

This chemical is called Naphthalene,2,7-dimethoxy-3,6-bis(methylseleno)-, and its systematic name is 2,7-Dimethoxy-3,6-bis(methylselanyl)naphthalene. With the molecular formula of C14H16O2Se2, its molecular weight is 374.20. The CAS registry number of the chemical is 105405-00-3. 

Other characteristics of Naphthalene,2,7-dimethoxy-3,6-bis(methylseleno)- can be summarised as followings: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.58; (4)ACD/LogD (pH 7.4): 4.58; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 18.46 Å2; (9)Flash Point: 238.3 °C; (10)Enthalpy of Vaporization: 70.5 kJ/mol; (11)Boiling Point: 470.5 °C at 760 mmHg; (12)Vapour Pressure: 1.43E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COc1cc2cc(OC)c(cc2cc1[Se]C)[Se]C
2.InChI: InChI=1/C14H16O2Se2/c1-15-11-5-9-6-12(16-2)14(18-4)8-10(9)7-13(11)17-3/h5-8H,1-4H3
3.InChIKey: HOAHNAYDJCBDMR-UHFFFAOYAB
4.Std. InChI: InChI=1S/C14H16O2Se2/c1-15-11-5-9-6-12(16-2)14(18-4)8-10(9)7-13(11)17-3/h5-8H,1-4H3
5.Std. InChIKey: HOAHNAYDJCBDMR-UHFFFAOYSA-N