CAS No.37002-52-1,BENZOYL-D-PHE-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37002-52-1
Name:	BENZOYL-D-PHE-OH
Article Data:	118

Formula:	C₁₆H₁₅NO₃
Molecular Weight:	269.3
Synonyms:	N-Benzoyl-D-phenylalanine;D-N-Benzoylphenylalanine;D-Bz-Phenylalanine;(R)-N-Benzoylphenylalanine;(R)-2-Benzoylamino-3-phenylpropanoicacid;
Density:	1.232 g/cm³
Boiling Point:	532 °C at 760 mmHg
Flash Point:	275.5 °C
PSA:	66.40000
LogP:	2.50320

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Specification

This chemical is called D-Phenylalanine, N-benzoyl-, and its CAS registry number is 37002-52-1. With the molecular formula of C₁₆H₁₅NO₃, its molecular weight is 269.30. Additionally, its product categories are Amino Acid Derivatives; Amino Acids.

Other characteristics of the D-Phenylalanine, N-benzoyl- can be summarised as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.43; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 46.61 Å²; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 75.15 cm³; (14)Molar Volume: 218.4 cm³; (15)Polarizability: 29.79×10^-24cm³; (16)Surface Tension: 53.6 dyne/cm; (17)Density: 1.232 g/cm³; (18)Flash Point: 275.5 °C; (19)Enthalpy of Vaporization: 85.01 kJ/mol; (20)Boiling Point: 532 °C at 760 mmHg; (21)Vapour Pressure: 3.8E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(NC(=O)c1ccccc1)Cc2ccccc2
2.InChI: InChI=1/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)
3.InChIKey: NPKISZUVEBESJI-UHFFFAOYAV