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Noradrenaline (Norepinephrine) Impurity 116

CAT: 1299-RM-N153016-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N153016-01Size:10 mg
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CAS Number
34809-82-0
Synonyms
4-acetylcyclohexa-3,5-diene-1,2-dione
Molecular Formula
C8H6O3
Molecular Weight
150.13
Target Alternative Name
Noradrenaline (Norepinephrine)
Product Name Synonym
4-acetylcyclohexa-3,5-diene-1,2-dione

Chemical Information

4-Acetylcyclohexa-3,5-diene-1,2-dione
CAS Number34809-82-0
PubChem CID12194831
IUPAC Name4-acetylcyclohexa-3,5-diene-1,2-dione
Molecular FormulaC8H6O3
Molecular Weight150.13
XLogP-0.2
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity294
SMILES
CC(=O)C1=CC(=O)C(=O)C=C1
InChI
InChI=1S/C8H6O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4H,1H3
InChIKey
JEZOLWXCGAFEGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Acetylcyclohexa-3,5-diene-1,2-dione
CAS: 34809-82-0
CID: 12194831
Formula: C8H6O3
MW: 150.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight150.13
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass150.031694049
Monoisotopic Mass150.031694049
Topological Polar Surface Area51.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity294
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