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CAS No.: | 103889-86-7 |
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Name: | (S)-AMINO-(2-METHOXY-PHENYL)-ACETIC ACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H11NO3 |
Molecular Weight: | 181.191 |
Synonyms: | (S)-2-Methoxy-phenylglycine; |
Density: | 1.246 g/cm3 |
Boiling Point: | 343.9 °C at 760 mmHg |
Flash Point: | 161.8 °C |
PSA: | 72.55000 |
LogP: | 1.47990 |
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The Benzeneacetic acid, α-amino-2-methoxy-, (αS)-, with the CAS registry number 103889-86-7, is also known as (S)-2-Methoxy-phenylglycine. It belongs to the product categories of Unusual amino acids; Pharmacetical. This chemical's molecular formula is C9H11NO3 and molecular weight is 181.19. What's more, its systematic name is (2S)-amino(2-methoxyphenyl)ethanoic acid.
Physical properties of Benzeneacetic acid, α-amino-2-methoxy-, (αS)- are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.64; (4)ACD/LogD (pH 7.4): -1.64; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 47.58 cm3; (15)Molar Volume: 145.3 cm3; (16)Polarizability: 18.86×10-24 cm3; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 161.8 °C; (20)Enthalpy of Vaporization: 62.04 kJ/mol; (21)Boiling Point: 343.9 °C at 760 mmHg; (22)Vapour Pressure: 2.6E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](c1ccccc1OC)N
(2)InChI: InChI=1/C9H11NO3/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m0/s1
(3)InChIKey: DQSACLYOIBPCJU-QMMMGPOBBN