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3-azido-7-hydroxychromen-2-one

CAT: 1266-JH491083Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH491083Size:1 Each
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CAS Number
817638-68-9
Stability
Stable. Incompatible with strong oxidizing agents.
Molecular Formula
C9H5N3O3
Molecular Weight
203.156
Product Name Synonym
3-azido-7-hydroxy-chromen-2-one
Physical Properties
Brown solid
Safety Statements
S26-S36/37/39-S45
Density
1.157g/cm3
Flash Point
233oC
Melting Point
OC

Chemical Information

3-Azido-7-hydroxycoumarin

structure in first source

CAS Number817638-68-9
PubChem CID25127608
IUPAC Name3-azido-7-hydroxychromen-2-one
Molecular FormulaC9H5N3O3
Molecular Weight203.15
XLogP2.7
Topological Polar Surface Area60.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity360
SMILES
C1=CC2=C(C=C1O)OC(=O)C(=C2)N=[N+]=[N-]
InChI
InChI=1S/C9H5N3O3/c10-12-11-7-3-5-1-2-6(13)4-8(5)15-9(7)14/h1-4,13H
InChIKey
KKJNQKVCZCNJDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Azido-7-hydroxycoumarin
CAS: 817638-68-9
CID: 25127608
Formula: C9H5N3O3
MW: 203.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.15
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass203.03309103
Monoisotopic Mass203.03309103
Topological Polar Surface Area60.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity360
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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