Cleroindicin F supplier | CasNO.189264-47-9

Name
3,3a,7,7aα-Tetrahydro-3aα-hydroxy-2H-6-benzofuranone
EINECS
CAS No. 189264-47-9
Article Data3
CAS DataBase
Density 1.202 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₂
Boiling Point 307.5 °C at 760 mmHg
Molecular Weight 165.18
Flash Point 139.771 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-A-Aminobenzenepropanoic Acid;
PSA 46.53000
LogP 0.03540

Cleroindicin F Specification

The Cleroindicin F, with the CAS registry number of 189264-47-9, is also known as (S)-A-Aminobenzenepropanoic Acid. This chemical's molecular formula is C₉H₁₁NO₂ and molecular weight is 165.18. What's more, its systematic name is L-Phenylalanine.

Physical properties about the Cleroindicin F are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 63.32 Å²; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 45.493 cm³; (13)Molar Volume: 137.437 cm³; (14)Surface Tension: 53.597 dyne/cm; (15)Density: 1.202 g/cm³; (16)Flash Point: 139.771 °C; (17)Enthalpy of Vaporization: 57.873 kJ/mol; (18)Boiling Point: 307.5 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C[C@@H](C(=O)O)N
(2) InChI: InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
(3) InChIKey: COLNVLDHVKWLRT-QMMMGPOBBC

Product Name

3,3a,7,7aα-Tetrahydro-3aα-hydroxy-2H-6-benzofuranone

Cleroindicin F Specification

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