Dopamine Impurity 35

CAT: 1299-RM-D151635-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D151635-02Size:25 mg

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CAS Number

22568-51-0

Synonyms

(E) -2-methoxy-4- (2-nitrovinyl) phenol

Molecular Formula

C9H9NO4

Molecular Weight

195.17

Target Alternative Name

Dopamine

Product Name Synonym

(E) -2-methoxy-4- (2-nitrovinyl) phenol

Chemical Information

2-Methoxy-4-((E)-2-nitrovinyl)phenol

CAS Number	22568-51-0
PubChem CID	638439
IUPAC Name	2-methoxy-4-[(E)-2-nitroethenyl]phenol
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	1.9
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	223

SMILES

COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])O

InChI

InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+

InChIKey

XVXCSPJSXIUNQJ-SNAWJCMRSA-N

Chemical Structure

2D Structure

CAS: 22568-51-0

CID: 638439

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	223
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes