The Benzeneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-,(αR)-, with the CAS registry number 17609-52-8, is also known as Benzyloxycarbonyl-D-phenylglycine. Its EINECS number is 241-582-8. This chemical's molecular formula is C16H15NO4 and formula weight is 285.29. What's more, its IUPAC name is (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid. It is harmful if swallowed.
Physical properties of Benzeneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-,(αR)- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.99; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 76.49 cm3; (15)Molar Volume: 223.6 cm3; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.275 g/cm3; (18)Flash Point: 253.4 °C; (19)Enthalpy of Vaporization: 80.34 kJ/mol; (20)Boiling Point: 495.3 °C at 760 mmHg; (21)Vapour Pressure: 1.25E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(=O)O
(2)Isomeric SMILES: C1=CC=C(C=C1)COC(=O)N[C@H](C2=CC=CC=C2)C(=O)O
(3)InChI: InChI=1S/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m1/s1
(4)InChIKey: RLDJWBVOZVJJOS-CQSZACIVSA-N
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