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128574-89-0

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Basic Information
CAS No.: 128574-89-0
Name: N-ACETYL-D-ASPARTIC ACID
Molecular Structure:
Molecular Structure of 128574-89-0 (N-ACETYL-D-ASPARTIC ACID)
Formula: C6H9NO5
Molecular Weight: 175.13936
Synonyms: N-Acetyl-D-asparticacid;
Density: 1.422 g/cm3
Boiling Point: 425.3 °C at 760 mmHg
Flash Point: 211 °C
PSA: 107.19000
LogP: -0.10930
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Specification

The N-Acetyl-D-aspartic acid with the CAS number 128574-89-0 is also called D-Aspartic acid,N-acetyl-. Its molecular formula is C6H9NO5. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: -1.06; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 72.91 Å2; (7)Index of Refraction: 1.505; (8)Molar Refractivity: 36.55 cm3; (9)Molar Volume: 123.1 cm3; (10)Polarizability: 14.49×10-24cm3; (11)Surface Tension: 61.5 dyne/cm; (12)Enthalpy of Vaporization: 74.57 kJ/mol; (13)Vapour Pressure: 2×10-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@@H](C(=O)O)CC(=O)O)C
(2)InChI: InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m1/s1
(3)InChIKey: OTCCIMWXFLJLIA-SCSAIBSYBB