Cnidiadin supplier | CasNO.41137-88-6

Name
Cnidiadin
EINECS
CAS No. 41137-88-6
Density 1.231 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₀O₅
Boiling Point 453.6 °C at 760 mmHg
Molecular Weight 316.3484
Flash Point 200.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanoic acid,2-methyl-,1-(8,9-dihydro-2- oxo-2H-furo[2,3-h]-1-benzopyran-8-yl)-1- methylethyl ester,(S)-;
PSA 0.00000
LogP 0.00000

Cnidiadin Specification

The Cnidiadin, with the CAS registry number 41137-88-6, is also known as Propanoic acid,2-methyl-,1-(8,9-dihydro-2- oxo-2H-furo[2,3-h]-1-benzopyran-8-yl)-1- methylethyl ester,(S)-. This chemical's molecular formula is C₁₈H₂₀O₅ and molecular weight is 316.3484. What's more, its systematic name is called 1-Methyl-1-(2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl)ethyl 2-methylpropanoate.

Physical properties about Cnidiadin are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 142.91; (6)ACD/BCF (pH 7.4): 142.9; (7)ACD/KOC (pH 5.5): 1213.95; (8)ACD/KOC (pH 7.4): 1213.95; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 82.76 cm³; (15)Molar Volume: 256.8 cm³; (16)Surface Tension: 46.6 dyne/cm; (17)Density: 1.231 g/cm³; (18)Flash Point: 200.1 °C; (19)Enthalpy of Vaporization: 71.3 kJ/mol; (20)Boiling Point: 453.6 °C at 760 mmHg; (21)Vapour Pressure: 2.04E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\2Oc3c1c(OC(C1)C(OC(=O)C(C)C)(C)C)ccc3/C=C/2
(2) InChI: InChI=1/C18H20O5/c1-10(2)17(20)23-18(3,4)14-9-12-13(21-14)7-5-11-6-8-15(19)22-16(11)12/h5-8,10,14H,9H2,1-4H3
(3) InChIKey: JBQHVGSHZLWWDC-UHFFFAOYAX

Product Name

Cnidiadin

Cnidiadin Specification

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