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16533-77-0

Basic Information
CAS No.: 16533-77-0
Name: 4-hydroxy-DL-tryptophan
Article Data: 2
Molecular Structure:
Molecular Structure of 16533-77-0 (4-hydroxy-DL-tryptophan)
Formula: C11H12N2O3
Molecular Weight: 220.228
Synonyms: DL-Tryptophan,4-hydroxy-;Tryptophan, 4-hydroxy-, DL- (8CI);4-Hydroxy-DL-tryptophan;Einecs 240-605-9;
EINECS: 240-605-9
Density: 1.484 g/cm3
Boiling Point: 520.6 °C at 760 mmHg
Flash Point: 268.7 °C
PSA: 99.34000
LogP: 1.52820
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    Product Name: 4-hydroxy-DL-tryptophan Synonyms: 4-hydroxy-DL-tryptophan CAS: 16533-77-0 MF: C11H12N2O3 MW: 220.22458 EINECS: 240-605-9

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Specification

The CAS register number of Tryptophan, 4-hydroxy- is 16533-77-0. It also can be called as DL-Tryptophan,4-hydroxy- and the systematic name about this chemical is 4-hydroxy-L-tryptophan. The molecular formula about this chemical is C11H12N2O3 and the molecular weight is 220.22458.

Physical properties about Tryptophan, 4-hydroxy- are: (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: 23.64x10-24cm3; (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@@H](N)Cc2c1c(cccc1O)nc2
(2)InChI: InChI=1/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1
(3)InChIKey: QSHLMQDRPXXYEE-ZETCQYMHBK
(4)Std. InChI: InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1
(5)Std. InChIKey: QSHLMQDRPXXYEE-ZETCQYMHSA-N