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111047-30-4

Basic Information
CAS No.: 111047-30-4
Name: Ginkgolicacid17:1
Molecular Structure:
Molecular Structure of 111047-30-4 (Ginkgolicacid17:1)
Formula: C24H38O3
Molecular Weight: 374.56
Synonyms: Ginkgolic acid II;Benzoicacid, 2-(10-heptadecenyl)-6-hydroxy-, (Z)-;Benzoic acid,2-(10Z)-10-heptadecenyl-6-hydroxy- (9CI);2-Hydroxy-6-(10-heptadecenyl)salicylic acid;6-[10(Z)-heptadecenyl]salicylic acid;6-[10-(Z)-Heptadecenyl]salicylic acid;Ginkgolic acid 17:1;
EINECS: N/A
Density: 0.975 g/cm3
Melting Point: 90~92℃
Boiling Point: 499.1 °C at 760 mmHg
Flash Point: 269.7 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26
Transport Information: N/A
PSA: 57.53000
LogP: 7.28030
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Specification

This chemical is called Benzoic acid, 2-(10Z)-10-heptadecen-1-yl-6-hydroxy-, and its CAS registry number is 111047-30-4. With the molecular formula of C24H38O3, its molecular weight is 374.56.

Other characteristics of the Benzoic acid, 2-(10Z)-10-heptadecen-1-yl-6-hydroxy- can be summarised as followings: (1)ACD/LogP: 10.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.53; (4)ACD/LogD (pH 7.4): 7.36; (5)ACD/BCF (pH 5.5): 59661.66; (6)ACD/BCF (pH 7.4): 40350.13; (7)ACD/KOC (pH 5.5): 12995.4; (8)ACD/KOC (pH 7.4): 8789; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 114.16 cm3; (15)Molar Volume: 374.4 cm3; (16)Polarizability: 45.25×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1 g/cm3; (19)Flash Point: 269.7 °C; (20)Enthalpy of Vaporization: 80.81 kJ/mol; (21)Boiling Point: 499.1 °C at 760 mmHg; (22)Vapour Pressure: 8.86E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1c(cccc1O)CCCCCCCCC\C=C/CCCCCC
2.InChI: InChI=1/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
3.InChIKey: MBYNDKVOZOAOIS-FPLPWBNLBY