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3-Azido-7-hydroxycoumarin

CAT: 0926-FA31762-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FA31762-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
817638-68-9
Synonyms
3-Azido-7-hydroxy-chroman-2-one;3-Azido-7-hydroxy-chromen-2-one
MDL Number
MFCD12924840
Smiles
C1=CC2=C (C=C1O) OC (=O) C (=C2) N=[N+]=[N-]
Molecular Formula
C9H5N3O3
Molecular Weight
203.15 g/mol
Controlled
No

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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