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62086-72-0

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Basic Information
CAS No.: 62086-72-0
Name: methyl N-[(4-hydroxyphenyl)acetyl]glycinate
Article Data: 1
Molecular Structure:
Molecular Structure of 62086-72-0 (methyl N-[(4-hydroxyphenyl)acetyl]glycinate)
Formula: C11H13NO4
Molecular Weight: 223.229
Synonyms: N-(p-Hydroxyphenylacetyl)glycine methyl ester;Methyl N-[(4-hydroxyphenyl)acetyl]glycinate;N-[(4-Hydroxyphenyl)acetyl]-glycine methyl ester;
Density: 1.243 g/cm3
Boiling Point: 446.401 °C at 760 mmHg
Flash Point: 223.776 °C
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Specification

The (4-Hydroxyphenyl)acetylglycine methyl ester, with the CAS registry number 62086-72-0, is also known as N-(p-Hydroxyphenylacetyl)glycine methyl ester. This chemical's molecular formula is C11H13NO4 and molecular weight is 223.08. What's more, its systematic name is Methyl N-[(4-hydroxyphenyl)acetyl]glycinate.

Physical properties of (4-Hydroxyphenyl)acetylglycine methyl ester are: (1)ACD/LogP: -0.121; (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): 20.47; (8)ACD/KOC (pH 7.4): 20.39; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 56.982 cm3; (15)Molar Volume: 179.619 cm3; (16)Polarizability: 22.589×10-24cm3; (17)Surface Tension: 49.32 dyne/cm; (18)Density: 1.243 g/cm3; (19)Flash Point: 223.776 °C; (20)Enthalpy of Vaporization: 73.167 kJ/mol; (21)Boiling Point: 446.401 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CNC(=O)Cc1ccc(O)cc1
(2)Std. InChI: InChI=1S/C11H13NO4/c1-16-11(15)7-12-10(14)6-8-2-4-9(13)5-3-8/h2-5,13H,6-7H2,1H3,(H,12,14)
(3)Std. InChIKey: FYHWMDONXPAJDH-UHFFFAOYSA-N