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1140844-63-8

1140844-63-8 |

CAS No: 1140844-63-8 Catalog No: AG01FG8X MDL No:

Product Description

Catalog Number:
AG01FG8X
CAS Number:
1140844-63-8
Molecular Formula:
C9H20N4O7
Molecular Weight:
296.2777
IUPAC Name:
acetic acid;(2S)-2-amino-4-[[amino-(hydroxyamino)methylidene]amino]butanoic acid
InChI:
InChI=1S/C5H12N4O3.2C2H4O2/c6-3(4(10)11)1-2-8-5(7)9-12;2*1-2(3)4/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9);2*1H3,(H,3,4)/t3-;;/m0../s1
InChI Key:
PQFYTZJPYBMTCT-QTNFYWBSSA-N
SMILES:
CC(=O)O.CC(=O)O.O/N=C(/NCC[C@@H](C(=O)O)N)\N

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
296.133g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
296.28g/mol
Monoisotopic Mass:
296.133g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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