2,1-Benzisoxazole-3-carboxylicacid, 4,5,6,7-tetrahydro- supplier

Name
2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-
EINECS
CAS No. 261350-47-4
Density 1.339 g/cm³
Solubility
Melting Point 128-130 °C(Solv: hexane (110-54-3); chloroform (67-66-3))
Formula C₈H₉NO₃
Boiling Point 376.1 °C at 760 mmHg
Molecular Weight 167.164
Flash Point 181.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5,6,7-Tetrahydrobenzo[c]isoxazole-3-carboxylicacid;
PSA 63.33000
LogP 1.25160

2,1-Benzisoxazole-3-carboxylicacid, 4,5,6,7-tetrahydro- Specification

This chemical is called 2,1-Benzisoxazole-3-carboxylicacid, 4,5,6,7-tetrahydro-, and its systematic name is 4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxylic acid. With the molecular formula of C₈H₉NO₃, its molecular weight is 167.16. The CAS registry number of this chemical is 261350-47-4. Additionally, its product category is Oxazole.

Other characteristics of the 2,1-Benzisoxazole-3-carboxylicacid, 4,5,6,7-tetrahydro- can be summarised as followings: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 63.33 Å²; (7)Index of Refraction: 1.56; (8)Molar Refractivity: 40.35 cm³; (9)Molar Volume: 124.8 cm³; (10)Polarizability: 15.99×10^-24cm³; (11)Surface Tension: 57.5 dyne/cm; (12)Density: 1.339 g/cm³; (13)Flash Point: 181.3 °C; (14)Enthalpy of Vaporization: 65.8 kJ/mol; (15)Boiling Point: 376.1 °C at 760 mmHg; (16)Vapour Pressure: 2.51E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES:C1CCc2c(c(on2)C(=O)O)C1
2.InChI: InChI=1/C8H9NO3/c10-8(11)7-5-3-1-2-4-6(5)9-12-7/h1-4H2,(H,10,11)
3.InChIKey: RZZGDFMRRLFKRP-UHFFFAOYAM

Product Name

2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-

2,1-Benzisoxazole-3-carboxylicacid, 4,5,6,7-tetrahydro- Specification

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