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71653-06-0

Basic Information
CAS No.: 71653-06-0
Name: 3-HYDROXYASPARTIC ACID
Article Data: 40
Molecular Structure:
Molecular Structure of 71653-06-0 (3-HYDROXYASPARTIC ACID)
Formula: C4H7NO5
Molecular Weight: 149.103
Synonyms: 3-HYDROXYASPARTIC ACID
EINECS: 275-771-1
Density: 1.738 g/cm3
Melting Point: 287-288℃ (decomposition)
Boiling Point: 368.7 °C at 760 mmHg
Flash Point: 176.8 °C
Appearance: white powder
PSA: 120.85000
LogP: -1.45590
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Specification

This chemical is called 3-Hydroxy-DL-aspartic acid. With the molecular formula of C4H7NO5, its molecular weight is 149.10. The CAS registry number of this chemical is 71653-06-0.

Other characteristics of the 3-Hydroxy-DL-aspartic acid can be summarised as followings: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4.01; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 28.69 cm3; (15)Molar Volume: 85.7 cm3; (16)Polarizability: 11.37×10-24cm3; (17)Surface Tension: 106.4 dyne/cm; (18)Density: 1.738 g/cm3; (19)Flash Point: 176.8 °C; (20)Enthalpy of Vaporization: 71.21 kJ/mol; (21)Boiling Point: 368.7 °C at 760 mmHg; (22)Vapour Pressure: 6.2E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)C(N)C(O)C(=O)O
2.InChI: InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
3.InChIKey: YYLQUHNPNCGKJQ-UHFFFAOYAD