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38175-34-7

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Basic Information
CAS No.: 38175-34-7
Name: 4-(3'-Methoxyphenyl)-2-pyrrolidinone
Article Data: 3
Molecular Structure:
Molecular Structure of 38175-34-7 (4-(3'-Methoxyphenyl)-2-pyrrolidinone)
Formula: C11H13NO2
Molecular Weight: 191.23
Synonyms: 4-(3-Methoxyphenyl)-2-pyrrolidone;4-(3-Methoxyphenyl)pyrrolidin-2-one;
Density: 1.129 g/cm3
Boiling Point: 395.105 °C at 760 mmHg
Flash Point: 192.753 °C
PSA: 38.33000
LogP: 1.62750
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Specification

The 2-Pyrrolidinone,4-(3-methoxyphenyl)-, with the CAS registry number 38175-34-7, is also known as 4-(3-Methoxyphenyl)pyrrolidin-2-one. This chemical's molecular formula is C11H13NO2 and molecular weight is 191.23. What's more, its systematic name is 4-(3-Methoxyphenyl)-2-pyrrolidinone.

Physical properties of 2-Pyrrolidinone,4-(3-methoxyphenyl)- are: (1)ACD/LogP: 0.117; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.12; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 27.57; (8)ACD/KOC (pH 7.4): 27.57; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 53.048 cm3; (15)Molar Volume: 169.433 cm3; (16)Polarizability: 21.03×10-24cm3; (17)Surface Tension: 39.36 dyne/cm; (18)Density: 1.129 g/cm3; (19)Flash Point: 192.753 °C; (20)Enthalpy of Vaporization: 64.522 kJ/mol; (21)Boiling Point: 395.105 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(c1)C2CC(=O)NC2
(2)Std. InChI: InChI=1S/C11H13NO2/c1-14-10-4-2-3-8(5-10)9-6-11(13)12-7-9/h2-5,9H,6-7H2,1H3,(H,12,13)
(3)Std. InChIKey: WXYBKTGQFCNOBB-UHFFFAOYSA-N