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1681-96-5

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Basic Information
CAS No.: 1681-96-5
Name: N-formyl-L-glutamic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 1681-96-5 (N-formyl-L-glutamic acid)
Formula: C6H9NO5
Molecular Weight: 175.141
Synonyms: Glutamicacid, N-formyl- (6CI,7CI);Glutamic acid, N-formyl-, L- (8CI);Formyl-L-glutamic acid;Formylglutamic acid;
EINECS: 216-861-2
Density: 1.419 g/cm3
Melting Point: 133-135 °C
Boiling Point: 504.8 °C at 760 mmHg
Flash Point: 259.1 °C
PSA: 103.70000
LogP: 0.07720
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Specification

The L-Glutamic acid,N-formyl-, with the CAS registry number 1681-96-5, is also known as N-Formylglutamate. Its EINECS registry number is 216-861-2. This chemical's molecular formula is C6H9NO5 and molecular weight is 175.13936. Its IUPAC name is called 2-formamidopentanedioic acid.

Physical properties of L-Glutamic acid,N-formyl-: (1)ACD/LogP: -1.37; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Index of Refraction: 1.507; (10)Molar Refractivity: 36.71 cm3; (11)Molar Volume: 123.3 cm3; (12)Surface Tension: 63.8 dyne/cm; (13)Density: 1.419 g/cm3; (14)Flash Point: 259.1 °C; (15)Enthalpy of Vaporization: 84.77 kJ/mol; (16)Boiling Point: 504.8 °C at 760 mmHg; (17)Vapour Pressure: 1.47E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CC(=O)O)C(C(=O)O)NC=O
(2)InChI: InChI=1S/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
(3)InChIKey: ADZLWSMFHHHOBV-UHFFFAOYSA-N