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Noradrenaline (Norepinephrine) Impurity 27

CAT: 1299-RM-N151827-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N151827-01Size:10 mg
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CAS Number
1197-09-7
Synonyms
1- (3,4-dihydroxyphenyl) ethanone
Molecular Formula
C8H8O3
Molecular Weight
152.15
Target Alternative Name
Noradrenaline
Product Name Synonym
1- (3,4-dihydroxyphenyl) ethanone

Chemical Information

3',4'-Dihydroxyacetophenone

3,4-dihydroxyacetophenone is a member of acetophenones. It has a role as a metabolite.

CAS Number1197-09-7
PubChem CID14530
IUPAC Name1-(3,4-dihydroxyphenyl)ethanone
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP1.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
CC(=O)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
InChIKey
UCQUAMAQHHEXGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3',4'-Dihydroxyacetophenone
CAS: 1197-09-7
CID: 14530
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
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