Fraxidin

CAT: 0607-BA1466-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1466-5Size:5 mg

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CAS Number

525-21-3

Form

A solid

Molecular Formula

C11H10O5

Molecular Weight

222.19

Shipping Conditions

Blue ice

Storage Conditions

4°C, desiccated and protect from light.

Chemical Information

Fraxidin

Fraxidin is a hydroxycoumarin.

CAS Number	525-21-3
PubChem CID	3083616
IUPAC Name	8-hydroxy-6,7-dimethoxychromen-2-one
Molecular Formula	C11H10O5
Molecular Weight	222.19
XLogP	1.5
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	301

SMILES

COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC

InChI

InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3

InChIKey

QNFBKOHHLAWWTC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 525-21-3

CID: 3083616

Formula: C11H10O5

MW: 222.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.19
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	222.05282342
Monoisotopic Mass	222.05282342
Topological Polar Surface Area	65 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	301
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
N1765-20	Fraxetin
N1957-20	Fraxin (Fraxoside; Paviin)

Catalog	Name
TB01234	Fraxidin