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1751-97-9

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Basic Information
CAS No.: 1751-97-9
Name: BIPHENYL-3,3'-DICARBOXYLIC ACID DIMETHYL ESTER
Article Data: 3
Molecular Structure:
Molecular Structure of 1751-97-9 (BIPHENYL-3,3'-DICARBOXYLIC ACID DIMETHYL ESTER)
Formula: C16H14O4
Molecular Weight: 270.285
Synonyms: 3,3'-Biphenyldicarboxylicacid, dimethyl ester (7CI,8CI);[1,1'-Biphenyl]-3,3'-dicarboxylic acid, dimethylester (9CI);Dimethyl 3,3'-biphenyldicarboxylate;NSC 105647;
Density: 1.172g/cm3
Boiling Point: 423.8 °C at 760 mmHg
Flash Point: 215.1 °C
PSA: 52.60000
LogP: 2.92680
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Specification

The [1,1'-Biphenyl]-3,3'-dicarboxylicacid, 3,3'-dimethyl ester, with CAS registry number 1751-97-9, has the systematic name of dimethyl biphenyl-3,3'-dicarboxylate. Besides this, it is also called Biphenyl-3,3'-dicarboxylic acid dimethyl ester. And the chemical formula of this chemical is C16H14O4.

Physical properties of [1,1'-Biphenyl]-3,3'-dicarboxylicacid, 3,3'-dimethyl ester: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 74.39 cm3; (9)Molar Volume: 230.5 cm3; (10)Polarizability: 29.49×10-24cm3; (11)Surface Tension: 43 dyne/cm; (12)Density: 1.172 g/cm3; (13)Flash Point: 215.1 °C; (14)Enthalpy of Vaporization: 67.81 kJ/mol; (15)Boiling Point: 423.8 °C at 760 mmHg; (16)Vapour Pressure: 2.18E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(ccc1)c2cc(ccc2)C(=O)OC
(2)InChI: InChI=1/C16H14O4/c1-19-15(17)13-7-3-5-11(9-13)12-6-4-8-14(10-12)16(18)20-2/h3-10H,1-2H3
(3)InChIKey: BCRVAPBPPFMTNB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C16H14O4/c1-19-15(17)13-7-3-5-11(9-13)12-6-4-8-14(10-12)16(18)20-2/h3-10H,1-2H3
(5)Std. InChIKey: BCRVAPBPPFMTNB-UHFFFAOYSA-N