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(R)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid

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Name

(R)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid

EINECS N/A
CAS No. 13188-89-1 Density 1.283±0.06 g/cm3(Predicted)
PSA 83.91000 LogP 1.33670
Solubility N/A Melting Point N/A
Formula C11H13NO4 Boiling Point 413.1±45.0 °C(Predicted)
Molecular Weight 223.229 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13188-89-1 (H-D-ASP(OBZL)-OH) Hazard Symbols N/A
Synonyms

b-Benzyl D-aspartate;D-Aspartic acid b-benzyl ester;Asparticacid, 4-benzyl ester, D- (8CI);

Article Data 6

(R)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid Chemical Properties

Systematic Name: 2-Amino-4-(benzyloxy)-4-oxobutanoic acid 
Synonyms of (R)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS NO.13188-89-1): 2-Amino-4-(benzyloxy)-4-oxobutanoic acid
CAS NO: 13188-89-1
Molecular Formula: C11H13NO4
Molecular Weight: 223.22
Molecular Structure:
H bond acceptors:  5 
H bond donors:  3 
Freely Rotating Bonds:  7 
Polar Surface Area:  55.84 Å
Index of Refraction:  1.563 
Molar Refractivity:  56.53 cm3 
Molar Volume:  173.9 cm3 
Surface Tension:  56.1 dyne/cm 
Density:  1.283 g/cm3 
Flash Point:  203.6 °C 
Enthalpy of Vaporization:  70.2 kJ/mol 
Boiling Point:  413.1 °C at 760 mmHg 
Vapour Pressure:  1.46E-07 mmHg at 25°C
Storage temp:  Store at 0°C
Appearance: (R)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS NO.13188-89-1) is crystalline.
SMILES: O=C(O)C(N)CC(=O)OCc1ccccc1
InChI: InChI=1/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15) 
InChIKey: VGALFAWDSNRXJK-UHFFFAOYAT 
Std. InChI: InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15) 
Std. InChIKey: VGALFAWDSNRXJK-UHFFFAOYSA-N

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