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Benzenemethanol, α-ethynyl-3-nitro-

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Name

Benzenemethanol, α-ethynyl-3-nitro-

EINECS N/A
CAS No. 83494-25-1 Density 1.335 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C9H7NO3 Boiling Point 293.1 °C at 760 mmHg
Molecular Weight 177.159 Flash Point 128.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 83494-25-1 (1-(3-nitrophenyl)prop-2-yn-1-ol) Hazard Symbols N/A
Synonyms

1-(3-Nitrophenyl)-2-propyn-1-ol;NSC 89798;

Article Data 5

Benzenemethanol, α-ethynyl-3-nitro- Specification

The Benzenemethanol, α-ethynyl-3-nitro-, with the CAS registry number 83494-25-1, is also known as 1-(3-Nitrophenyl)-2-propyn-1-ol. This chemical's molecular formula is C9H7NO3 and molecular weight is 177.1568. What's more, both its IUPAC name and systematic name are the same which is called 1-(3-Nitrophenyl)prop-2-yn-1-ol.

Physical properties about Benzenemethanol, α-ethynyl-3-nitro- are: (1) ACD/LogP: 1.18; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 55.05 Å2; (7) Index of Refraction: 1.616; (8) Molar Refractivity: 46.34 cm3; (9) Molar Volume: 132.6 cm3; (10) Surface Tension: 62.9 dyne/cm; (11) Density: 1.335 g/cm3; (12) Flash Point: 128.9 °C; (13) Enthalpy of Vaporization: 56.25 kJ/mol; (14) Boiling Point: 293.1 °C at 760 mmHg; (15) Vapour Pressure: 0.000802 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cccc(c1)C(O)C#C
(2) InChI: InChI=1/C9H7NO3/c1-2-9(11)7-4-3-5-8(6-7)10(12)13/h1,3-6,9,11H
(3) InChIKey: WACRSIOBIWTUMX-UHFFFAOYAN

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