Atractylodin 500mg

CAT: 0628-A14776-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A14776-500Size:500 mg

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CAS Number

55290-63-6

Chemical Information

Atractylodin

Atractylodin is a member of furans.

CAS Number	55290-63-6
PubChem CID	5321047
IUPAC Name	2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan
Molecular Formula	C13H10O
Molecular Weight	182.22
XLogP	3.5
Topological Polar Surface Area	13.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	348

SMILES

C/C=C/C#CC#C/C=C/C1=CC=CO1

InChI

InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+

InChIKey

GRBKWAXRYIITKG-QFMFQGICSA-N

Chemical Structure

2D Structure

CAS: 55290-63-6

CID: 5321047

Formula: C13H10O

MW: 182.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.22
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	182.073164938
Monoisotopic Mass	182.073164938
Topological Polar Surface Area	13.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	348
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N0238-01	Atractylodin
HY-N0238R-01	Atractylodin (Standard)
371203	Atractylodin discontinued
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