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1- (3,4-dihydroxyphenyl) -2-hydroxyethanone

CAT: 1596-AR-E01540-01Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E01540-01Size:250 Units
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CAS Number
29477-54-1
Synonyms
1- (3,4-dihydroxyphenyl) -2-hydroxyethanone; 2-Hydroxy-3,4-dihydro-pteridine;2-hydroxy-3, '4'-dihydroxyacetophenone;4-hydroxyacetylcatechol;2-Hydroxy-3.4-dihydro-pteridin;3,4-Dihydro-2-hydroxy-pteridin
Molecular Formula
C8H8O4
Molecular Weight
168.15
API Name
Epinephrine

Chemical Information

2-Hydroxy-3',4'-dihydroxyacetophenone

1-(3,4-dihydroxyphenyl)-2-hydroxyethanone has been reported in Jasminum grandiflorum and Tamarindus indica with data available.

CAS Number29477-54-1
PubChem CID22134444
IUPAC Name1-(3,4-dihydroxyphenyl)-2-hydroxyethanone
Molecular FormulaC8H8O4
Molecular Weight168.15
XLogP0.9
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity168
SMILES
C1=CC(=C(C=C1C(=O)CO)O)O
InChI
InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,9-11H,4H2
InChIKey
LNZSKFZHPHBUDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-3',4'-dihydroxyacetophenone
CAS: 29477-54-1
CID: 22134444
Formula: C8H8O4
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass168.04225873
Monoisotopic Mass168.04225873
Topological Polar Surface Area77.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity168
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

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