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188789-98-2

188789-98-2 | L-Valine, N-[(4-nitrophenoxy)carbonyl]-

CAS No: 188789-98-2 Catalog No: AG002HB1 MDL No:

Product Description

Catalog Number:
AG002HB1
Chemical Name:
L-Valine, N-[(4-nitrophenoxy)carbonyl]-
CAS Number:
188789-98-2
Molecular Formula:
C12H14N2O6
Molecular Weight:
282.2494
IUPAC Name:
(2S)-3-methyl-2-[(4-nitrophenoxy)carbonylamino]butanoic acid
InChI:
InChI=1S/C12H14N2O6/c1-7(2)10(11(15)16)13-12(17)20-9-5-3-8(4-6-9)14(18)19/h3-7,10H,1-2H3,(H,13,17)(H,15,16)/t10-/m0/s1
InChI Key:
GOSUVKUKGNKEKH-JTQLQIEISA-N
SMILES:
O=C(N[C@H](C(=O)O)C(C)C)Oc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
282.085g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.252g/mol
Monoisotopic Mass:
282.085g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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