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Basic Information
CAS No.: 75776-67-9
Name: 4-keto-L-proline hydrobromide
Article Data: 2
Molecular Structure:
Molecular Structure of 75776-67-9 (4-keto-L-proline hydrobromide)
Formula: C5H7NO3.HBr
Molecular Weight: 210.027
Synonyms: 4-keto-L-proline hydrobromide;
Density: 1.38g/cm3
Melting Point: 154-156 °C
Boiling Point: 341.8oC at 760mmHg
Flash Point: 160.5oC
Hazard Symbols: Xi
Risk Codes: 37/38-41
Safety: 26-39
PSA: 66.40000
LogP: 0.28890
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    4-keto-L-proline hydrobromide

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  • 4-Keto-L-proline hydrobromide

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    4-Keto-L-proline hydrobromide

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  • 4-Keto-L-Prolinehydrobromide

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    75776-67-9

    4-Keto-L-Prolinehydrobromide

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Specification

The 4-Oxo-L-proline hydrobromide is an organic compound with the formula C5H7NO3.HBr. The IUPAC name of this chemical is (2S)-4-oxopyrrolidine-2-carboxylic acid hydrobromide. With the CAS registry number 75776-67-9, it is also named as L-Proline, 4-oxo-, hydrobromide (1:1).

Physical properties about 4-Oxo-L-proline hydrobromide are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 1; (4)Tautomer Count: 3; (5)Exact Mass: 208.968756; (6)MonoIsotopic Mass: 208.968756; (7)Topological Polar Surface Area: 66.4; (8)Heavy Atom Count: 10; (9)Complexity: 154; (10)Defined Atom StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: C1[C@H](NCC1=O)C(=O)O.Br
(2)InChI: InChI=1/C5H7NO3.BrH/c7-3-1-4(5(8)9)6-2-3;/h4,6H,1-2H2,(H,8,9);1H/t4-;/m0./s1
(3)InChIKey: SFSROLZHCPCODJ-WCCKRBBIBN
(4)Std. InChI: InChI=1S/C5H7NO3.BrH/c7-3-1-4(5(8)9)6-2-3;/h4,6H,1-2H2,(H,8,9);1H/t4-;/m0./s1
(5)Std. InChIKey: SFSROLZHCPCODJ-WCCKRBBISA-N