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Dopamine impurity 2

CAT: 0804-HY-Z0952-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Z0952-02Size:500 mg
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Description
Dopamine impuritiy 2 is an impurity of Dopamine.
CAS Number
39816-35-8
UNSPSC
12352005
Hazard Statement
H315, H318, H335, H411
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
97.0
Smiles
OC1=C(OC)C=CC(/C=C/[N+]([O-])=O)=C1
Molecular Formula
C9H9NO4
Molecular Weight
195.17
Precautions
H315, H318, H335, H411
Shipping Conditions
Room Temperature
Storage Conditions
RT, stored under nitrogen
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

2-Methoxy-5-(2-nitrovinyl)phenol
CAS Number39816-35-8
PubChem CID672279
IUPAC Name2-methoxy-5-[(E)-2-nitroethenyl]phenol
Molecular FormulaC9H9NO4
Molecular Weight195.17
XLogP1.9
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity223
SMILES
COC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])O
InChI
InChI=1S/C9H9NO4/c1-14-9-3-2-7(6-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+
InChIKey
QGCVJPGJBCRIEV-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-5-(2-nitrovinyl)phenol
CAS: 39816-35-8
CID: 672279
Formula: C9H9NO4
MW: 195.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.17
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass195.05315777
Monoisotopic Mass195.05315777
Topological Polar Surface Area75.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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