Paeonol

CAT: 1299-RG-A260786-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260786-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

552-41-0

Synonyms

Paeonol

Molecular Formula

C9H10O3

Molecular Weight

166.17

Product Name Synonym

Paeonol

Chemical Information

Paeonol

Paeonol is a member of phenols and a member of methoxybenzenes. It has a role as a metabolite.

CAS Number	552-41-0
PubChem CID	11092
IUPAC Name	1-(2-hydroxy-4-methoxyphenyl)ethanone
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

CC(=O)C1=C(C=C(C=C1)OC)O

InChI

InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3

InChIKey

UILPJVPSNHJFIK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 552-41-0

CID: 11092

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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
N1847-1000	Paeonol