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| CAS No.: | 52899-02-2 |
|---|---|
| Name: | 7-HYDROXY-DL-TRYPTOPHAN |
| Molecular Structure: | |
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| Formula: | C11H12N2O3 |
| Molecular Weight: | 220.228 |
| Synonyms: | 7-Hydroxytryptophan;7-Hydroxy-DL-tryptophan; |
| Density: | 1.484 g/cm3 |
| Melting Point: | >330℃ |
| Boiling Point: | 520.6 °C at 760 mmHg |
| Flash Point: | 268.7 °C |
| PSA: | 99.34000 |
| LogP: | 1.52820 |
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Specification
This chemical is called Tryptophan, 7-hydroxy-, and it can also be named as 7-Hydroxytryptophan. With the molecular formula of C11H12N2O3, its molecular weight is 220.22. The CAS registry number of this chemical is 52899-02-2.
Other characteristics of the Tryptophan, 7-hydroxy- can be summarised as follows: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.2; (4)ACD/LogD (pH 7.4): -2.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.7 Å2; (13)Index of Refraction: 1.737; (14)Molar Refractivity: 59.65 cm3; (15)Molar Volume: 148.3 cm3; (16)Polarizability: 23.64×10-24 cm3; (17)Surface Tension: 85 dyne/cm; (18)Density: 1.484 g/cm3; (19)Flash Point: 268.7 °C; (20)Enthalpy of Vaporization: 83.55 kJ/mol; (21)Boiling Point: 520.6 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(N)Cc2c1cccc(O)c1nc2
2.InChI: InChI=1/C11H12N2O3/c12-8(11(15)16)4-6-5-13-10-7(6)2-1-3-9(10)14/h1-3,5,8,13-14H,4,12H2,(H,15,16)
3.InChIKey: VQSRKJZICBNQJG-UHFFFAOYAK