Products for Research Use Only
RegisterLogin

Acetosyringone

CAT: 0127-BUP18628-01Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP18628-01Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2478-38-8
Synonyms
Acetosyringenin
Purity
=95%
Smiles
O(C)C1=C(O)C(OC)=CC(C(C)=O)=C1

Chemical Information

Acetosyringone

Acetosyringone is a member of the class of acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a peripheral nervous system drug, an anti-asthmatic drug and a plant metabolite. It is a member of acetophenones, a member of phenols and a dimethoxybenzene.

CAS Number2478-38-8
PubChem CID17198
IUPAC Name1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP0.2
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity190
SMILES
CC(=O)C1=CC(=C(C(=C1)OC)O)OC
InChI
InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
InChIKey
OJOBTAOGJIWAGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetosyringone
CAS: 2478-38-8
CID: 17198
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area55.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity190
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

Alternative Products

CatalogName
C6580-200Acetosyringone

Popular Products