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73245-90-6

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Basic Information
CAS No.: 73245-90-6
Name: 3-acetyl-L-tyrosine
Molecular Structure:
Molecular Structure of 73245-90-6 (3-acetyl-L-tyrosine)
Formula: C11H13NO4
Molecular Weight: 223.2252
Synonyms: DL-Tyrosine,3-acetyl-;
Density: 1.333 g/cm3
Boiling Point: 429 °C at 760 mmHg
Flash Point: 213.3 °C
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Specification

The Tyrosine, 3-acetyl- is an organic compound with the formula C11H13NO4. The IUPAC name of this chemical is (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-aminopropanoic acid. With the CAS registry number 73245-90-6, it is also named as 3-Acetyl-L-tyrosine.

Physical properties about Tyrosine, 3-acetyl- are: (1)ACD/LogP: 0.86; (2)ACD/LogD (pH 5.5): -1.64; (3)ACD/LogD (pH 7.4): -1.65; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 57.4 cm3; (14)Molar Volume: 167.3 cm3; (15)Polarizability: 22.75×10-24cm3; (16)Surface Tension: 63.2 dyne/cm; (17)Density: 1.333 g/cm3; (18)Flash Point: 213.3 °C; (19)Enthalpy of Vaporization: 72.13 kJ/mol; (20)Boiling Point: 429 °C at 760 mmHg; (21)Vapour Pressure: 4.01E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(ccc1O)C[C@@H](C(=O)O)N)C
(2)InChI: InChI=1/C11H13NO4/c1-6(13)8-4-7(2-3-10(8)14)5-9(12)11(15)16/h2-4,9,14H,5,12H2,1H3,(H,15,16)/t9-/m0/s1
(3)InChIKey: QORSWSUKHPLZDP-VIFPVBQEBW
(4)Std. InChI: InChI=1S/C11H13NO4/c1-6(13)8-4-7(2-3-10(8)14)5-9(12)11(15)16/h2-4,9,14H,5,12H2,1H3,(H,15,16)/t9-/m0/s1
(5)Std. InChIKey: QORSWSUKHPLZDP-VIFPVBQESA-N