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Nor-NOHA acetate 1mg

CAT: 0628-A21673-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A21673-1Size:1 mg
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CAS Number
1140844-63-8

Chemical Information

nor-NOHA acetate
CAS Number1140844-63-8
PubChem CID16760508
IUPAC Nameacetic acid;(2S)-2-amino-4-[[amino-(hydroxyamino)methylidene]amino]butanoic acid
Molecular FormulaC9H20N4O7
Molecular Weight296.28
Topological Polar Surface Area209
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity213
SMILES
CC(=O)O.CC(=O)O.C(CN=C(N)NO)[C@@H](C(=O)O)N
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
InChIKey
PQFYTZJPYBMTCT-QTNFYWBSSA-N
Chemical Structure
2D Structure
2D structure of nor-NOHA acetate
CAS: 1140844-63-8
CID: 16760508
Formula: C9H20N4O7
MW: 296.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight296.28
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass296.13319899
Monoisotopic Mass296.13319899
Topological Polar Surface Area209 Ų
Heavy Atom Count20
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes