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CAS No.: | 84962-38-9 |
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Name: | 5-Oxo-L-proline, compound with DL-alanine (1:1) |
Molecular Structure: | |
Formula: | C8H14N2O5 |
Molecular Weight: | 218.2072 |
Synonyms: | 5-Oxo-L-proline, compound with DL-alanine (1:1); (2S)-2-aminopropanoic acid; (2S)-5-oxopyrrolidine-2-carboxylic acid |
EINECS: | 284-735-4 |
Boiling Point: | 566.5 °C at 760 mmHg |
Flash Point: | 296.4 °C |
PSA: | 133.21000 |
LogP: | -0.25600 |
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The CAS registry number of 5-Oxo-L-proline, compound with DL-alanine (1:1) is 84962-38-9. Its EINECS registry number is 284-735-4. Its molecular formula is C8H14N2O5 and molecular weight is 218.2072. Its systematic name is called (2S)-2-aminopropanoic acid.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 7; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 3; (5)Flash Point: 296.4 °C; (6)Enthalpy of Vaporization: 92.97 kJ/mol; (7)Boiling Point: 566.5 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@H]1CCC(=O)N1.C[C@H](N)C(O)=O
(2)InChI: InChI=1/C5H7NO3.C3H7NO2/c7-4-2-1-3(6-4)5(8)9;1-2(4)3(5)6/h3H,1-2H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)/t3-;2-/m00/s1
(3)InChIKey: BCTQVLPHKMWFQL-BHFSHLQUBL