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Homoalanosine

CAT: 0931-TN10660-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10660-01Size:10 mg
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CAS Number
114707-36-7
Bioactivity
Homoalanosine is a compound with herbicidal activity. It effectively eliminates various weeds while remaining harmless to rice plants.
Smiles
C(CN(N=O)O)[C@@H](C(O)=O)N
Molecular Formula
C4H9N3O4
Molecular Weight
163.132
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Homoalanosine

Homoalanosine is a L-alpha-amino acid.

CAS Number114707-36-7
PubChem CID136888546
IUPAC Name[(3S)-3-amino-3-carboxypropyl]-hydroxyimino-oxidoazanium
Molecular FormulaC4H9N3O4
Molecular Weight163.13
XLogP-3.4
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity169
SMILES
C(C[N+](=NO)[O-])[C@@H](C(=O)O)N
InChI
InChI=1S/C4H9N3O4/c5-3(4(8)9)1-2-7(11)6-10/h3,10H,1-2,5H2,(H,8,9)/t3-/m0/s1
InChIKey
RMTXCTHJOJRMCZ-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of Homoalanosine
CAS: 114707-36-7
CID: 136888546
Formula: C4H9N3O4
MW: 163.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.13
XLogP3-3.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass163.05930578
Monoisotopic Mass163.05930578
Topological Polar Surface Area125 Ų
Heavy Atom Count11
Formal Charge0
Complexity169
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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CatalogName
HY-N14728Homoalanosine

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