Name: S-1,1'-BINAPHTHYL-2,2'-DICARBOXYLIC ACID
SKU: 18531-96-9

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Basic Information

Molecular Structure:
CAS No.:	18531-96-9
Name:	S-1,1'-BINAPHTHYL-2,2'-DICARBOXYLIC ACID
Article Data:	39

Formula:	C₂₂H₁₄O₄
Molecular Weight:	342.351
Synonyms:	[1,1'-Binaphthalene]-2,2'-dicarboxylicacid, (S)-(-)- (8CI);(-)-1,1'-Binaphthyl-2,2'-dicarboxylic acid;(S)-(-)-Binaphthyl-2,2'-dicarboxylicacid;(S)-1,1'-Binaphthyl-2,2'-dicarboxylic acid;2,2'-Dicarboxylic acid, 1,1'-binaphthyl-;1-(2-Carboxynaphth-1-yl)-2-naphthoic acid;1-(2-Carboxynaphthyl)naphthalene-2-carboxylic acid;
Density:	1.38 g/cm³
Boiling Point:	493.3 °C at 760 mmHg
Flash Point:	266.2 °C
PSA:	74.60000
LogP:	5.05640

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Specification

This chemical is called [1,1'-Binaphthalene]-2,2'-dicarboxylicacid, (1S)-, and it can also be named as (S)-1,1'-Binaphthyl-2,2'-dicarboxylic acid. With the molecular formula of C₂₂H₁₄O₄, its molecular weight is 342.34416. The CAS registry number of this chemical is 18531-96-9, and its systematic name is 1,1'-Binaphthalene-2,2'-dicarboxylic acid.

Other characteristics of the [1,1'-Binaphthalene]-2,2'-dicarboxylicacid, (1S)- can be summarised as followings: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 2.21; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.65; (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: 1.743; (14)Molar Refractivity: 100.38 cm³; (15)Molar Volume: 248 cm³; (16)Polarizability: 39.79×10^-24cm³; (17)Surface Tension: 68.1 dyne/cm; (18)Density: 1.38 g/cm³; (19)Flash Point: 266.2 °C; (20)Enthalpy of Vaporization: 80.08 kJ/mol; (21)Boiling Point: 493.3 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2ccc1c(cccc1)c2c4c(ccc3ccccc34)C(=O)O
2.InChI: InChI=1/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26)
3.InChIKey: YDZNRNHKJQTGCG-UHFFFAOYAZ