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Azirinomycin

CAT: 0931-TN10690-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10690-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31772-89-1
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Azirinomycin exhibits activity against both Gram-positive and Gram-negative bacteria.
Smiles
O=C(O)C1N=C1C
Molecular Formula
C4H5NO2
Molecular Weight
99.088
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azirinomycin
CAS Number31772-89-1
PubChem CID35931
IUPAC Name3-methyl-2H-azirine-2-carboxylic acid
Molecular FormulaC4H5NO2
Molecular Weight99.09
XLogP-0.3
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity139
SMILES
CC1=NC1C(=O)O
InChI
InChI=1S/C4H5NO2/c1-2-3(5-2)4(6)7/h3H,1H3,(H,6,7)
InChIKey
NHCHAEIJXKFNRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azirinomycin
CAS: 31772-89-1
CID: 35931
Formula: C4H5NO2
MW: 99.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight99.09
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass99.032028402
Monoisotopic Mass99.032028402
Topological Polar Surface Area49.7 Ų
Heavy Atom Count7
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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