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3-Azidopropanoic acid

CAT: 0013-GTR19236133-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19236133-01Size:1 g
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Description
3-Azidopropanoic acid
CAS Number
18523-47-2
Form
Yellowish liquid
Smiles
OC (CCN=[N+]=[N-]) =O
Molecular Formula
C3H5N3O2
Molecular Weight
115.04
Storage Conditions
Storage/Stability: -20 °C. Handling Conditions: avoid exposure to light
Notes
For research use only.

Chemical Information

Azidopropionic acid
CAS Number18523-47-2
PubChem CID155604
IUPAC Name3-azidopropanoic acid
Molecular FormulaC3H5N3O2
Molecular Weight115.09
XLogP0.6
Topological Polar Surface Area51.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity126
SMILES
C(CN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C3H5N3O2/c4-6-5-2-1-3(7)8/h1-2H2,(H,7,8)
InChIKey
YIPVUXAMZQBALD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azidopropionic acid
CAS: 18523-47-2
CID: 155604
Formula: C3H5N3O2
MW: 115.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.09
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass115.038176411
Monoisotopic Mass115.038176411
Topological Polar Surface Area51.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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