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Noradrenaline (Norepinephrine) Impurity 110

CAT: 1299-RM-N153010-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N153010-01Size:10 mg
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CAS Number
67083-58-3
Synonyms
2- (3,4-dihydroxyphenyl) -2-oxoethyl acetate
Molecular Formula
C10H10O5
Molecular Weight
210.19
Target Alternative Name
Noradrenaline (Norepinephrine)
Product Name Synonym
2- (3,4-dihydroxyphenyl) -2-oxoethyl acetate

Chemical Information

2-(3,4-Dihydroxyphenyl)-2-oxoethyl acetate
CAS Number67083-58-3
PubChem CID71368758
IUPAC Name[2-(3,4-dihydroxyphenyl)-2-oxoethyl] acetate
Molecular FormulaC10H10O5
Molecular Weight210.18
XLogP0.8
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity250
SMILES
CC(=O)OCC(=O)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C10H10O5/c1-6(11)15-5-10(14)7-2-3-8(12)9(13)4-7/h2-4,12-13H,5H2,1H3
InChIKey
BFNUQNVSBFHYQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dihydroxyphenyl)-2-oxoethyl acetate
CAS: 67083-58-3
CID: 71368758
Formula: C10H10O5
MW: 210.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.18
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass210.05282342
Monoisotopic Mass210.05282342
Topological Polar Surface Area83.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity250
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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