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126147-70-4 | L-Valine, N-(phenoxycarbonyl)-
CAS No: 126147-70-4 Catalog No: AG000RSB MDL No:
Product Description
Catalog Number:
AG000RSB
Chemical Name:
L-Valine, N-(phenoxycarbonyl)-
CAS Number:
126147-70-4
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
(2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C12H15NO4/c1-8(2)10(11(14)15)13-12(16)17-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,16)(H,14,15)/t10-/m0/s1
InChI Key:
HVJMEAOTIUMIBJ-JTQLQIEISA-N
SMILES:
CC([C@@H](C(=O)O)NC(=O)Oc1ccccc1)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| (4S)-Benzyl 4-isopropyl-5-oxo-1,3-oxazolidine-3-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20080401 |
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