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CAS No.: | 58212-15-0 |
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Name: | 1-(3-HYDROXYPHENYL)PYRROLIDIN-2-ONE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H11NO2 |
Molecular Weight: | 177.1998 |
Synonyms: | 1-(3-Hydroxyphenyl)pyrrolidin-2-one; |
Density: | 1.275 g/cm3 |
Melting Point: | 203 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 459.3 °C at 760 mmHg |
Flash Point: | 231.6 °C |
PSA: | 40.54000 |
LogP: | 1.58400 |
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The 2-Pyrrolidinone, 1-(3-hydroxyphenyl)-, with the CAS registry number of 58212-15-0, is also known as ZINC00161262. This chemical's molecular formula is C10H11NO2 and molecular weight is 177.1998. What's more, its IUPAC name is 1-(3-Hydroxyphenyl)pyrrolidin-2-one.
Physical properties about 2-Pyrrolidinone, 1-(3-hydroxyphenyl)- are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.614; (8)Molar Refractivity: 48.46 cm3; (9)Molar Volume: 138.8 cm3; (10)Surface Tension: 56.6 dyne/cm; (11)Density: 1.275 g/cm3; (12)Flash Point: 231.6 °C; (13)Enthalpy of Vaporization: 74.74 kJ/mol; (14)Boiling Point: 459.3 °C at 760 mmHg; (15)Vapour Pressure: 4.67E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2N(c1cc(O)ccc1)CCC2
(2) InChI: InChI=1/C10H11NO2/c12-9-4-1-3-8(7-9)11-6-2-5-10(11)13/h1,3-4,7,12H,2,5-6H2
(3) InChIKey: YZVOLCQVEKXPHT-UHFFFAOYAB