DL-Methionine, N- (...

DL-Methionine, N- (2-cyanoethyl)-(CAS No. 5464-31-3)

DL-Methionine, N- (2-cyanoethyl)-(CAS No. 5464-31-3)

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DL-Methionine, N- (2-cyanoethyl)- 5464-31-3 98%

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Details:

【Name】
DL-Methionine, N- (2-cyanoethyl)-
【CAS Registry number】
5464-31-3
【Synonyms】
1-(2-cyanoethyl)-5-oxoproline
41563-94-4
NSC15835
AC1Q4SBL
AC1L3TI9
KST-1B4311
EINECS 255-441-3
1-(2-Cyanoethyl)-5-oxo-L-proline
AR-1B0733
NSC-15835
L-Proline, 1-(2-cyanoethyl)-5-oxo-
1-(2-cyanoethyl)-5-oxopyrrolidine-2-carboxylic acid
【Molecular Formula】
C8H10N2O3 (Products with the same molecular formula)
【Molecular Weight】
182.1766
【Inchi】
InChI=1S/C8H10N2O3/c9-4-1-5-10-6(8(12)13)2-3-7(10)11/h6H,1-3,5H2,(H,12,13)
【InChIKey】
MISMXAVSVZNOFP-UHFFFAOYSA-N
【Canonical SMILES】
C1CC(=O)N(C1C(=O)O)CCC#N
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:182.1766 [g/mol]
Molecular Formula:C8H10N2O3
XLogP3-AA:-0.9
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:182.069142
MonoIsotopic Mass:182.069142
Topological Polar Surface Area:81.4
Heavy Atom Count:13
Formal Charge:0
Complexity:278
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3.8
Conformer Sampling RMSD:0.6
CID Conformer Count:29

 

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