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82508-03-0 | L-Alanine, N-(2-ethyl-6-methylphenyl)-
CAS No: 82508-03-0 Catalog No: AG0057OG MDL No:
Product Description
Catalog Number:
AG0057OG
Chemical Name:
L-Alanine, N-(2-ethyl-6-methylphenyl)-
CAS Number:
82508-03-0
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
(2S)-2-(2-ethyl-6-methylanilino)propanoic acid
InChI:
InChI=1S/C12H17NO2/c1-4-10-7-5-6-8(2)11(10)13-9(3)12(14)15/h5-7,9,13H,4H2,1-3H3,(H,14,15)/t9-/m0/s1
InChI Key:
ACQCQKSFTBFYDO-VIFPVBQESA-N
SMILES:
CCc1cccc(c1N[C@H](C(=O)O)C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Efficient asymmetric reduction of 4-(trimethylsilyl)-3-butyn-2-one by Candida parapsilosis cells in an ionic liquid-containing system. | PloS one 20120101 |
| Characteristic features and biotechnological applications of cross-linked enzyme aggregates (CLEAs). | Applied microbiology and biotechnology 20111101 |
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