4-Azidocoumarin

CAT: 0926-FA166712-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FA166712-01Size:50 mg

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CAS Number

42373-56-8

MDL Number

MFCD00275630

Smiles

C1=CC=C2C (=C1) C (=CC (=O) O2) N=[N+]=[N-]

Molecular Formula

C9H5N3O2

Molecular Weight

187.16 g/mol

Controlled

Chemical Information

4-Azidocoumarin

CAS Number	42373-56-8
PubChem CID	375228
IUPAC Name	4-azidochromen-2-one
Molecular Formula	C9H5N3O2
Molecular Weight	187.15
XLogP	2.6
Topological Polar Surface Area	40.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	331

SMILES

C1=CC=C2C(=C1)C(=CC(=O)O2)N=[N+]=[N-]

InChI

InChI=1S/C9H5N3O2/c10-12-11-7-5-9(13)14-8-4-2-1-3-6(7)8/h1-5H

InChIKey

IUICMSYHSPWQPN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42373-56-8

CID: 375228

Formula: C9H5N3O2

MW: 187.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.15
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	187.038176411
Monoisotopic Mass	187.038176411
Topological Polar Surface Area	40.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	331
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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