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Basic Information
CAS No.: 73086-98-3
Name: D-A-AMINOXY-B-PHENYLPROPIONIC ACID, HYDROBROMIDE
Molecular Structure:
Molecular Structure of 73086-98-3 (D-A-AMINOXY-B-PHENYLPROPIONIC ACID, HYDROBROMIDE)
Formula: C9H12BrNO3
Molecular Weight: 262.9
Synonyms: (2S)-2-aminooxy-3-phenyl-propanoic acid hydrobromide;D-α-Aminoxy-β-phenylpropionic acid hydrobromide;
Melting Point: 165-167 °C
Boiling Point: 397.7 °C at 760 mmHg
Flash Point: 194.3 °C
Appearance: White powder
Hazard Symbols: IrritantXi
PSA: 72.55000
LogP: 2.23100
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Specification

The Benzenepropanoic acid, α-(aminooxy)-, hydrobromide, (R)-(9CI), with the CAS registry number 73086-98-3, is also known as D-α-Aminoxy-β-phenylpropionic acid hydrobromide. It belongs to the product categories of Amino Acids & Derivatives; Intermediates. This chemical's molecular formula is C9H12BrNO3 and molecular weight is 262.9. What's more, its systematic name is (2S)-2-aminooxy-3-phenyl-propanoic acid hydrobromide.

Physical properties of Benzenepropanoic acid, α-(aminooxy)-, hydrobromide, (R)-(9CI) are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)#H bond acceptors: 4; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 72.55 Å2; (8)Flash Point: 194.3 °C; (9)Enthalpy of Vaporization: 68.36 kJ/mol; (10)Boiling Point: 397.7 °C at 760 mmHg; (11)Vapour Pressure: 4.87E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: c1ccc(cc1)CC(C(=O)O)ON.Br
(2)InChI: InChI=1/C9H11NO3.BrH/c10-13-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1
(3)InChIKey: YENJJZAVLSPBIZ-QRPNPIFTBJ