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90991-36-9

90991-36-9 | L-Alanine, 3-(hydroxynitrosoamino)-N-[(phenylmethoxy)carbonyl]-

CAS No: 90991-36-9 Catalog No: AG006FRY MDL No:

Product Description

Catalog Number:
AG006FRY
Chemical Name:
L-Alanine, 3-(hydroxynitrosoamino)-N-[(phenylmethoxy)carbonyl]-
CAS Number:
90991-36-9
Molecular Formula:
C11H13N3O6
Molecular Weight:
283.2374
IUPAC Name:
[(2S)-2-carboxy-2-(phenylmethoxycarbonylamino)ethyl]-hydroxyimino-oxidoazanium
InChI:
InChI=1S/C11H13N3O6/c15-10(16)9(6-14(19)13-18)12-11(17)20-7-8-4-2-1-3-5-8/h1-5,9,18H,6-7H2,(H,12,17)(H,15,16)/t9-/m0/s1
InChI Key:
KARJEHRTUNKIFV-VIFPVBQESA-N
SMILES:
O=NN(C[C@@H](C(=O)O)NC(=O)OCc1ccccc1)O

Properties

Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
283.08g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
283.24g/mol
Monoisotopic Mass:
283.08g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.7  

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